Acemetacin impurity mixture CRS
Product Code
EPY0000842
CAS Number
5 AnalytesProduct Format
Mixture
Product Categories
Product Type
OtherPrice and availability
Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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SMILES
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InChI
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IUPAC
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Acemetacin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H18 Cl N O6
Molecular Weight
415.82
Accurate Mass
415.0823
SMILES
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3
InChI
InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
IUPAC
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
Acemetacin Impurity C
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H17 Cl2 N O6
Molecular Weight
450.27
Accurate Mass
449.0433
SMILES
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)c(Cl)c3
InChI
InChI=1S/C21H17Cl2NO6/c1-11-14(9-20(27)30-10-19(25)26)15-8-13(29-2)4-6-18(15)24(11)21(28)12-3-5-16(22)17(23)7-12/h3-8H,9-10H2,1-2H3,(H,25,26)
IUPAC
2-[2-[1-(3,4-dichlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
Acemetacin Impurity D
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H26 Cl N O6
Molecular Weight
471.93
Accurate Mass
471.1449
SMILES
COc1cc2c(CC(=O)OCC(=O)O)c(C)n(C(=O)c3ccc(Cl)cc3)c2cc1C(C)(C)C
InChI
InChI=1S/C25H26ClNO6/c1-14-17(11-23(30)33-13-22(28)29)18-10-21(32-5)19(25(2,3)4)12-20(18)27(14)24(31)15-6-8-16(26)9-7-15/h6-10,12H,11,13H2,1-5H3,(H,28,29)
IUPAC
2-[2-[6-tert-butyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid
Acemetacin Impurity F
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C23 H20 Cl N O8
Molecular Weight
473.86
Accurate Mass
473.0877
SMILES
COc1ccc2c(c1)c(CC(=O)OCC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3
InChI
InChI=1S/C23H20ClNO8/c1-13-17(10-21(28)33-12-22(29)32-11-20(26)27)18-9-16(31-2)7-8-19(18)25(13)23(30)14-3-5-15(24)6-4-14/h3-9H,10-12H2,1-2H3,(H,26,27)
IUPAC
2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetyl]oxyacetic acid
Acemetacin tert-butyl ester
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H26 Cl N O6
Molecular Weight
471.93
Accurate Mass
471.1449
SMILES
COc1ccc2c(c1)c(CC(=O)OCC(=O)OC(C)(C)C)c(C)n2C(=O)c3ccc(Cl)cc3
InChI
InChI=1S/C25H26ClNO6/c1-15-19(13-22(28)32-14-23(29)33-25(2,3)4)20-12-18(31-5)10-11-21(20)27(15)24(30)16-6-8-17(26)9-7-16/h6-12H,13-14H2,1-5H3
IUPAC
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Storage & Transport Information
Storage Temperature
2-8C Fridge/Coldroom
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Tariff Code
29339980
Product Attributes
Product Type
Other
Product Format
Mixture
API Family
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