(R,R)-N,N'-DIDEMETHYL ATRACURIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H66N2O12
Molecular Weight	899.0759
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (R,R)-N,N'-DIDEMETHYL ATRACURIUM

Structure Search

SMILES

COC1=CC2=C(C=C1OC)[C@@H](CC3=CC(OC)=C(OC)C=C3)N(CCC(=O)OCCCCCOC(=O)CCN4CCC5=C(C=C(OC)C(OC)=C5)[C@H]4CC6=CC(OC)=C(OC)C=C6)CC2

InChI

InChIKey=KFNBBSMQNSQPPJ-GYOJGHLZSA-N

InChI=1S/C51H66N2O12/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3/t40-,41-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C51H66N2O12
Molecular Weight	899.0759
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:28:23 GMT 2025` Edited by `admin` on `Wed Apr 02 11:28:23 GMT 2025`
Record UNII	ZZV7VAV7QX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CISATRACURIUM BESILATE IMPURITY R [EP IMPURITY]

Preferred Name

English

(R,R)-N,N'-DIDEMETHYL ATRACURIUM

Common Name

English

PENTANE-1,5-DIYL BIS(3-((1R)-1-((3,4-DIMETHOXYPHENYL)METHYL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)PROPANOATE)

Systematic Name

English

2,2'-(1,5-PENTANEDIYL) BIS((1R)-1-((3,4-DIMETHOXYPHENYL)METHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINEPROPANOATE)

Systematic Name

English

2(1H)-ISOQUINOLINEPROPANOIC ACID, 1-((3,4-DIMETHOXYPHENYL)METHYL)-3,4-DIHYDRO-6,7-DIMETHOXY-, 2,2'-(1,5-PENTANEDIYL) ESTER, (1R,1'R)-

Systematic Name

English

Code System Code Type Description

CAS

64228-84-8

Created by admin on Wed Apr 02 11:28:23 GMT 2025 , Edited by admin on Wed Apr 02 11:28:23 GMT 2025

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PUBCHEM

53992007

Created by admin on Wed Apr 02 11:28:23 GMT 2025 , Edited by admin on Wed Apr 02 11:28:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID20708213

Created by admin on Wed Apr 02 11:28:23 GMT 2025 , Edited by admin on Wed Apr 02 11:28:23 GMT 2025

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FDA UNII

ZZV7VAV7QX

Created by admin on Wed Apr 02 11:28:23 GMT 2025 , Edited by admin on Wed Apr 02 11:28:23 GMT 2025

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