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Details

Stereochemistry RACEMIC
Molecular Formula C56H78N2O16.2Cl
Molecular Weight 1106.128
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXACURIUM CHLORIDE, (±)-

SMILES

[Cl-].[Cl-].COC1=CC(C[C@@H]2C3=C(CC[N@@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]4(C)CCC5=C([C@H]4CC6=CC(OC)=C(OC)C(OC)=C6)C(OC)=C(OC)C(OC)=C5)C=C(OC)C(OC)=C3OC)=CC(OC)=C1OC

InChI

InChIKey=APADFLLAXHIMFU-QLLVEZNJSA-L
InChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2/t39-,40-,57-,58-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DOXACURIUM CHLORIDE, (±)-
Common Name English
(1R,2S,1'R,2'S)-2,2'-((1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXYPROPANE-3,1-DIYL))BIS(6,7,8-TRIMETHOXY-2-METHYL-1-(3,4,5-TRIMETHOXYBENZYL)-1,2,3,4-TETRAHYDROISOQUINOLINIUM) DICHLORIDE, REL-
Preferred Name English
DOXACURIUM CHLORIDE, RACEMIC STEREOISOMER
Common Name English
RACEMIC DOXACURIUM CHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
Z9O6U941GQ
Created by admin on Mon Mar 31 18:31:24 GMT 2025 , Edited by admin on Mon Mar 31 18:31:24 GMT 2025
PRIMARY
PUBCHEM
9898272
Created by admin on Mon Mar 31 18:31:24 GMT 2025 , Edited by admin on Mon Mar 31 18:31:24 GMT 2025
PRIMARY