(1R,2R)-2-(2-CARBOXYETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H31NO6
Molecular Weight	429.506
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1R,2R)-2-(2-CARBOXYETHYL)-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-])=O)C=C(OC)C(OC)=C3)C=C1OC

InChI

InChIKey=VZAJSNWFIOPTKS-KBMIEXCESA-N

InChI=1S/C24H31NO6/c1-25(11-9-24(26)27)10-8-17-14-22(30-4)23(31-5)15-18(17)19(25)12-16-6-7-20(28-2)21(13-16)29-3/h6-7,13-15,19H,8-12H2,1-5H3/t19-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H32NO6
Molecular Weight	430.514
Charge	1
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 `Sat Dec 16 15:29:51 UTC 2023` Edited by `admin` on `Sat Dec 16 15:29:51 UTC 2023`
Record UNII	FZX0EJM2FB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R,2R)-2-(2-CARBOXYETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM

Systematic Name

English

CIS-QUATERNARY ACID [USP IMPURITY]

Common Name

English

(1R,2R)-2-(2-carboxyethyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium

Systematic Name

English

ISOQUINOLINIUM, 2-(2-CARBOXYETHYL)-1-((3,4-DIMETHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, (1R,2R)-

Systematic Name

English

CISATRACURIUM BESILATE IMPURITY A [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

154731624

Created by admin on Sat Dec 16 15:29:52 UTC 2023 , Edited by admin on Sat Dec 16 15:29:52 UTC 2023

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CAS

1075727-04-6

Created by admin on Sat Dec 16 15:29:52 UTC 2023 , Edited by admin on Sat Dec 16 15:29:52 UTC 2023

PRIMARY

FDA UNII

FZX0EJM2FB

Created by admin on Sat Dec 16 15:29:52 UTC 2023 , Edited by admin on Sat Dec 16 15:29:52 UTC 2023

PRIMARY

Related Record Type Details


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CISATRACURIUM BESYLATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: