(1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H72N2O12
Molecular Weight	929.145
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure of (1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).

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-FTDNCABPSA-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	929.145
Charge	2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:32:12 UTC 2023` Edited by `admin` on `Sat Dec 16 15:32:12 UTC 2023`
Record UNII	7VP7M3X5I7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).

Systematic Name

English

R-TRANS-R'-TRANS-ATRACURIUM [USP IMPURITY]

Common Name

English

2,2′-[pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]

Systematic 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-[1α,2β(1′R*,2′S*)]]-

Systematic Name

English

CISATRACURIUM BESILATE IMPURITY G [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

7VP7M3X5I7

Created by admin on Sat Dec 16 15:32:13 UTC 2023 , Edited by admin on Sat Dec 16 15:32:13 UTC 2023

PRIMARY

PUBCHEM

73416102

Created by admin on Sat Dec 16 15:32:13 UTC 2023 , Edited by admin on Sat Dec 16 15:32:13 UTC 2023

PRIMARY

CAS

96946-45-1

Created by admin on Sat Dec 16 15:32:13 UTC 2023 , Edited by admin on Sat Dec 16 15:32:13 UTC 2023

PRIMARY

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(1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).

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Interaction Type:

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Qualification:

USP

Amount: