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Details

Stereochemistry ACHIRAL
Molecular Formula C56H78N2O16
Molecular Weight 1035.2223
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of DOXACURIUM, MESO-

SMILES

COC1=CC(C[C@H]2C3=C(OC)C(OC)=C(OC)C=C3CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@+]4(C)CCC5=CC(OC)=C(OC)C(OC)=C5[C@H]4CC6=CC(OC)=C(OC)C(OC)=C6)=CC(OC)=C1OC

InChI

InChIKey=GBLRQXKSCRCLBZ-IYQFLEDGSA-N
InChI=1S/C56H78N2O16/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/q+2/t39-,40+,57-,58+

HIDE SMILES / InChI

Approval Year

Name Type Language
DOXACURIUM, MESO-
Common Name English
DOXACURIUM, MESO STEREOISOMER
Common Name English
ISOQUINOLINIUM, 2,2'-((1,4-DIOXO-1,4-BUTANEDIYL)BIS(OXY-3,1-PROPANEDIYL))BIS(1,2,3,4-TETRAHYDRO-6,7,8-TRIMETHOXY-2-METHYL-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, (1R,1'S,2S,2'R)-REL-
Common Name English
MESO DOXACURIUM CATION
Common Name English
MESO DOXACURIUM ION
Code English
(1R,2S,1'S,2'R)-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) REL-
Common Name English
MESO DOXACURIUM
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID401019852
Created by admin on Fri Dec 15 16:36:54 GMT 2023 , Edited by admin on Fri Dec 15 16:36:54 GMT 2023
PRIMARY
FDA UNII
8A4O17EP8T
Created by admin on Fri Dec 15 16:36:54 GMT 2023 , Edited by admin on Fri Dec 15 16:36:54 GMT 2023
PRIMARY
PUBCHEM
5284552
Created by admin on Fri Dec 15 16:36:54 GMT 2023 , Edited by admin on Fri Dec 15 16:36:54 GMT 2023
PRIMARY
CAS
133814-18-3
Created by admin on Fri Dec 15 16:36:54 GMT 2023 , Edited by admin on Fri Dec 15 16:36:54 GMT 2023
PRIMARY