(R)-trans-Atracurium Besylate-d4
Product Code
TRC-A794497-25MG
Product Format
Neat
Molecular Formula
C₆₅H₇₈D₄N₂O₁₈S₂
Molecular Weight
1247.5
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Price and availability
Product Information
Product Data
Analyte Name
(R)-trans-Atracurium Besylate-d4
Molecular Formula
C₆₅H₇₈D₄N₂O₁₈S₂
Molecular Weight
1247.5
Accurate Mass
1246.53
SMILES
O=C(CC[N@+]1(CCC2=CC(OC)=C(C=C2[C@H]1CC3=CC=C(C(OC)=C3)OC)OC)C)OCC(CC(COC(CC[N@@+]4(CCC5=C([C@H]4CC6=CC(OC)=C(C=C6)OC)C=C(OC)C(OC)=C5)C)=O)([2H])[2H])([2H])[2H].O=S(C7=CC=CC=C7)([O-])=O.O=S(C8=CC=CC=C8)([O-])=O
InChI
InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54-,55+;;/m1../s1/i12D2,13D2;;
IUPAC
(1R,2S)-1-(3,4-dimethoxybenzyl)-2-(3-((5-((3-((1R,2R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl)oxy)pentyl-2,2,4,4-d4)oxy)-3-oxopropyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate
Unlabelled CAS Number
96946-46-2
SIL Type
Deuterium
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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