ATRACURIUM, (1R,2R,1'S,2'R)-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C53H72N2O12
Molecular Weight	929.145
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure of ATRACURIUM, (1R,2R,1'S,2'R)-(±)-

Structure Search

SMILES

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

InChI

InChIKey=YXSLJKQTIDHPOT-VAJYTKCOSA-N

InChI=1S/C53H72N2O12/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/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43+,54-,55-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ATRACURIUM, (1R,2R,1'S,2'R)-(±)-

Common Name

English

RAC-(1R,2R,1'S,2'R)-2,2'-(PENTANE-1,5-DIYLBIS(OXY(3-OXOPROPANE-3,1-DIYL)))BIS(1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM)

Preferred Name

English

ISOQUINOLINIUM, 2,2'-(1,5-PENTANEDIYLBIS(OXY(3-OXO-3,1-PROPANEDIYL)))BIS(1-((3,4-DIMETHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,2R,1'S,2'R)-

Systematic Name

English

(1R,2R,1'S,2'R)-2,2'-(PENTANE-1,5-DIYLBIS(OXY(3-OXOPROPANE-3,1-DIYL)))BIS(1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM)

Systematic Name

English

Code System Code Type Description

FDA UNII

GH417099YP

Created by admin on Mon Mar 31 18:32:39 GMT 2025 , Edited by admin on Mon Mar 31 18:32:39 GMT 2025

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CAS

112242-41-8

Created by admin on Mon Mar 31 18:32:39 GMT 2025 , Edited by admin on Mon Mar 31 18:32:39 GMT 2025

PRIMARY

PUBCHEM

66509117

Created by admin on Mon Mar 31 18:32:39 GMT 2025 , Edited by admin on Mon Mar 31 18:32:39 GMT 2025

PRIMARY

SUBSTANCE RECORD


					GH417099YP

ATRACURIUM, (1R,2R,1'S,2'R)-(±)-