ATRACURIUM, (1R,2R,1'R,2'S)-(+/-)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C53H72N2O12
Molecular Weight	929.147
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

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

Structure Search

SMILES

C[N@@+]1(CCc2cc(c(cc2[C@@]1([H])Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(C)CCc5cc(c(cc5[C@@]4([H])Cc6ccc(c(c6)OC)OC)OC)OC

InChI

InChIKey=YXSLJKQTIDHPOT-LGHDNDGLSA-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

Molecular Formula	C53H72N2O12
Molecular Weight	929.147
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 Jun 25 23:07:22 UTC 2021` Edited by `admin` on `Fri Jun 25 23:07:22 UTC 2021`
Record UNII	6I6ZV2IVUX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ATRACURIUM, (1R,2R,1'R,2'S)-(+/-)-

Common Name

English

RAC-(1R,2R,1'R,2'S)-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)

Common Name

English

Code System Code Type Description

CAS

1599467-96-5

Created by admin on Fri Jun 25 23:07:22 UTC 2021 , Edited by admin on Fri Jun 25 23:07:22 UTC 2021

PRIMARY

FDA UNII

6I6ZV2IVUX

Created by admin on Fri Jun 25 23:07:22 UTC 2021 , Edited by admin on Fri Jun 25 23:07:22 UTC 2021

PRIMARY

PUBCHEM

175693

Created by admin on Fri Jun 25 23:07:22 UTC 2021 , Edited by admin on Fri Jun 25 23:07:22 UTC 2021

PRIMARY