N-DESMETHYL ATRACURIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H69N2O12
Molecular Weight	914.1105
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C[C@H]2N(CCC(=O)OCCCCCOC(=O)CC[N@+]3(C)CCC4=C(C=C(OC)C(OC)=C4)[C@H]3CC5=CC=C(OC)C(OC)=C5)CCC6=C2C=C(OC)C(OC)=C6)C=C1OC

InChI

InChIKey=MGBFQQTZPRAITQ-YLUKQOQFSA-N

InChI=1S/C52H69N2O12/c1-54(23-19-38-32-48(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)66-26-12-10-11-25-65-51(55)18-22-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4/h13-16,29-34,41-42H,10-12,17-28H2,1-9H3/q+1/t41-,42-,54+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H69N2O12
Molecular Weight	914.1105
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:42:33 GMT 2025` Edited by `admin` on `Wed Apr 02 06:42:33 GMT 2025`
Record UNII	J3WS5PV5PT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CISATRACURIUM BESILATE IMPURITY P [EP IMPURITY]

Preferred Name

English

N-DESMETHYL ATRACURIUM

Common Name

English

TRANS-MONOQUATERNARY COMPOUND [USP IMPURITY]

Common Name

English

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

Systematic Name

English

(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-2-[3-[[5-[[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]propanoyl]oxy]pentyl]oxy]-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium

Systematic Name

English

Isoquinolinium, 1-[(3,4-dimethoxyphenyl)methyl]-2-[3-[[5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]-1-oxopropoxy]pentyl]oxy]-3-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R,2S)-

Systematic Name

English

Code System Code Type Description

CAS

2024603-91-4

Created by admin on Wed Apr 02 06:42:33 GMT 2025 , Edited by admin on Wed Apr 02 06:42:33 GMT 2025

PRIMARY

FDA UNII

J3WS5PV5PT

Created by admin on Wed Apr 02 06:42:33 GMT 2025 , Edited by admin on Wed Apr 02 06:42:33 GMT 2025

PRIMARY

PUBCHEM

154731625

Created by admin on Wed Apr 02 06:42:33 GMT 2025 , Edited by admin on Wed Apr 02 06:42:33 GMT 2025

PRIMARY

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CISATRACURIUM BESYLATE

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Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: