DOXACURIUM, MESO-

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 Search

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

Molecular Formula	C56H78N2O16
Molecular Weight	1035.2223
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:36:54 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:54 UTC 2023`
Record UNII	8A4O17EP8T
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023

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FDA UNII

8A4O17EP8T

Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023

PRIMARY

PUBCHEM

5284552

Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023

PRIMARY

CAS

133814-18-3

Created by admin on Fri Dec 15 16:36:54 UTC 2023 , Edited by admin on Fri Dec 15 16:36:54 UTC 2023

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					8A4O17EP8T

DOXACURIUM, MESO-

IONIC MOIETY