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Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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(±)-MDEA ((±)-3,4-Methylenedioxyethylamphetamine)
1.1 ng/ml
(±)-MDMA ((±)-3,4-Methylenedioxymethamphetamine)
0.9 ng/ml
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
1.5 ng/ml
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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(-)-11-Nor-9-carboxy-delta9-THC
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H28 O4
Molecular Weight
344.44
Accurate Mass
344.1988
SMILES
CCCCCc1cc(O)c2[C@@H]3C=C(CC[C@H]3C(C)(C)Oc2c1)C(=O)O
InChI
InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
IUPAC
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
(-)-trans-11-Hydroxy-Delta9-THC
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O3
Molecular Weight
330.46
Accurate Mass
330.2195
SMILES
CCCCCc1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1
InChI
InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1
IUPAC
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
(±)-Amphetamine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H13 N
Molecular Weight
135.21
Accurate Mass
135.1048
SMILES
CC(N)Cc1ccccc1
InChI
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
IUPAC
1-phenylpropan-2-amine
(±)-MDEA ((±)-3,4-Methylenedioxyethylamphetamine)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 N O2
Molecular Weight
207.27
Accurate Mass
207.1259
SMILES
CCNC(C)Cc1ccc2OCOc2c1
InChI
InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
IUPAC
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
(±)-MDMA ((±)-3,4-Methylenedioxymethamphetamine)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O2
Molecular Weight
193.24
Accurate Mass
193.1103
SMILES
CNC(C)Cc1ccc2OCOc2c1
InChI
InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
IUPAC
1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
(±)-Methadone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H27 N O
Molecular Weight
309.45
Accurate Mass
309.2093
SMILES
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
IUPAC
6-(dimethylamino)-4,4-diphenylheptan-3-one
(±)-Methamphetamine
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C10 H15 N
Molecular Weight
149.23
Accurate Mass
149.1204
SMILES
CNC(C)Cc1ccccc1
InChI
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
IUPAC
N-methyl-1-phenylpropan-2-amine
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H23 N
Molecular Weight
277.40
Accurate Mass
277.183
SMILES
C\C=C\1/N(C)C(C)CC1(c2ccccc2)c3ccccc3
InChI
InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-
IUPAC
(2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
6-Acetylmorphine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H21 N O4
Molecular Weight
327.374
Accurate Mass
327.147
SMILES
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35
InChI
InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
IUPAC
[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate
7-Aminoflunitrazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 F N3 O
Molecular Weight
283.30
Accurate Mass
283.1121
SMILES
CN1C(=O)CN=C(c2ccccc2F)c3cc(N)ccc13
InChI
InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
IUPAC
7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
Alprazolam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H13 Cl N4
Molecular Weight
308.76
Accurate Mass
308.0829
SMILES
Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12
InChI
InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
IUPAC
8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Benzoylecgonine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H19 N O4
Molecular Weight
289.33
Accurate Mass
289.1314
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O
InChI
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
IUPAC
(1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Bromazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Br N3 O
Molecular Weight
316.15
Accurate Mass
315.0007
SMILES
Brc1ccc2NC(=O)CN=C(c3ccccn3)c2c1
InChI
InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)
IUPAC
7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
Buprenorphine
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C29 H41 N O4
Molecular Weight
467.64
Accurate Mass
467.3036
SMILES
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56
InChI
InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29?/m1/s1
IUPAC
[5a,7a(S)]-17-(Cyclopropylmethyl)-a-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol
Clobazam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H13 Cl N2 O2
Molecular Weight
300.74
Accurate Mass
300.0666
SMILES
CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13
InChI
InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
IUPAC
7-chloro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Clonazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H10 Cl N3 O3
Molecular Weight
315.71
Accurate Mass
315.0411
SMILES
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
InChI
InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
IUPAC
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Cocaine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H21 N O4
Molecular Weight
303.35
Accurate Mass
303.1471
SMILES
COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3
InChI
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
IUPAC
methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Codeine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H21 N O3
Molecular Weight
299.36
Accurate Mass
299.1521
SMILES
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
IUPAC
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Diazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H13 Cl N2 O
Molecular Weight
284.74
Accurate Mass
284.0716
SMILES
CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13
InChI
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
IUPAC
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Dihydrocodeine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H23 N O3
Molecular Weight
301.38
Accurate Mass
301.1678
SMILES
COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
InChI
InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
IUPAC
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Dronabinol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O2
Molecular Weight
314.46
Accurate Mass
314.2246
SMILES
CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
IUPAC
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Ecgonine methyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H17 N O3
Molecular Weight
199.25
Accurate Mass
199.1208
SMILES
COC(=O)[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1N2C
InChI
InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
IUPAC
methyl (1S,3S,4R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Flunitrazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H12 F N3 O3
Molecular Weight
313.28
Accurate Mass
313.0863
SMILES
CN1C(=O)CN=C(c2ccccc2F)c3cc(ccc13)[N+](=O)[O-]
InChI
InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
IUPAC
5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
Flurazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H23 Cl F N3 O
Molecular Weight
387.88
Accurate Mass
387.1514
SMILES
CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
InChI
InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
IUPAC
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Lorazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H10 Cl2 N2 O2
Molecular Weight
321.16
Accurate Mass
320.0119
SMILES
OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O
InChI
InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
IUPAC
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
Midazolam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H13 Cl F N3
Molecular Weight
325.77
Accurate Mass
325.0782
SMILES
Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
InChI
InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
IUPAC
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
Morphine
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C17 H19 N O3
Molecular Weight
285.34
Accurate Mass
285.1365
SMILES
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
InChI
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
IUPAC
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Morphine-3beta-D-glucuronide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C23 H27 N O9
Molecular Weight
461.46
Accurate Mass
461.1686
SMILES
CN1CC[C@]23[C@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
InChI
InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
N-Desalkylflurazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H10 Cl F N2 O
Molecular Weight
288.70
Accurate Mass
288.0466
SMILES
Fc1ccccc1C2=NCC(=O)Nc3ccc(Cl)cc23
InChI
InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
IUPAC
7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
N-Desmethylclobazam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H11 Cl N2 O2
Molecular Weight
286.71
Accurate Mass
286.0509
SMILES
Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
IUPAC
7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione
Nitrazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H11 N3 O3
Molecular Weight
281.27
Accurate Mass
281.08
SMILES
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
InChI
InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
IUPAC
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Norbuprenorphine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H35 N O4
Molecular Weight
413.55
Accurate Mass
413.2566
SMILES
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4)c56
InChI
InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25?/m1/s1
Nordazepam
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
-
Molecular Weight
-
Accurate Mass
-
Oxazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H11 Cl N2 O2
Molecular Weight
286.71
Accurate Mass
286.0509
SMILES
OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
InChI
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
IUPAC
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
rac-3,4-Methylenedioxyamphetamine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 N O2
Molecular Weight
179.22
Accurate Mass
179.0946
SMILES
CC(N)Cc1ccc2OCOc2c1
InChI
InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
IUPAC
1-(1,3-benzodioxol-5-yl)propan-2-amine
Temazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H13 Cl N2 O2
Molecular Weight
300.74
Accurate Mass
300.0666
SMILES
CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13
InChI
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
IUPAC
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Tetrazepam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H17 Cl N2 O
Molecular Weight
288.77
Accurate Mass
288.1029
SMILES
CN1C(=O)CN=C(C2=CCCCC2)c3cc(Cl)ccc13
InChI
InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
IUPAC
7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
Triazolam
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H12 Cl2 N4
Molecular Weight
343.21
Accurate Mass
342.0439
SMILES
Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12
InChI
InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
IUPAC
8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Storage & Transport Information
Storage Temperature
2-8C Fridge/Coldroom
Shipping Temperature
Cold 2-8C
Country of Origin
GERMANY
Transport Restrictions
Air Excepted Air Dangerous
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