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

Structure Search

SMILES

COC1=C(OC)C=C(C[C@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@@H]4CC6=CC(OC)=C(OC)C=C6)C=C1

InChI

InChIKey=YXSLJKQTIDHPOT-PEZCJLBTSA-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+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H72N2O12
Molecular Weight	929.145
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 16:06:59 UTC 2023` Edited by `admin` on `Fri Dec 15 16:06:59 UTC 2023`
Record UNII	685T1EWG9C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATRACURIUM, (1S,2R,1'S,2'R)-(±)-

Common Name

English

RAC-(1S,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)

Common Name

English

Code System Code Type Description

PUBCHEM

57244632

Created by admin on Fri Dec 15 16:06:59 UTC 2023 , Edited by admin on Fri Dec 15 16:06:59 UTC 2023

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FDA UNII

685T1EWG9C

Created by admin on Fri Dec 15 16:06:59 UTC 2023 , Edited by admin on Fri Dec 15 16:06:59 UTC 2023

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CAS

1599467-98-7

Created by admin on Fri Dec 15 16:06:59 UTC 2023 , Edited by admin on Fri Dec 15 16:06:59 UTC 2023

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Related Record Type Details


					685T1EWG9C

ATRACURIUM, (1S,2R,1'S,2'R)-(±)-

IONIC MOIETY