Cisatracurium-20-methyl dibenzenesulfonate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H74N2O12.2C6H5O3S
Molecular Weight	1257.506
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cisatracurium-20-methyl dibenzenesulfonate

Structure Search

SMILES

[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C2=CC=CC=C2.COC3=CC4=C(C=C3OC)[C@@H](CC5=CC(OC)=C(OC)C=C5)[N@@+](C)(CCC(=O)OCCCCCCOC(=O)CC[N@@+]6(C)CCC7=C(C=C(OC)C(OC)=C7)[C@H]6CC8=CC(OC)=C(OC)C=C8)CC4

InChI

InChIKey=ZWUPEORUMORROD-XNSDKZDZSA-L

InChI=1S/C54H74N2O12.2C6H6O3S/c1-55(23-19-39-33-49(63-7)51(65-9)35-41(39)43(55)29-37-15-17-45(59-3)47(31-37)61-5)25-21-53(57)67-27-13-11-12-14-28-68-54(58)22-26-56(2)24-20-40-34-50(64-8)52(66-10)36-42(40)44(56)30-38-16-18-46(60-4)48(32-38)62-6;2*7-10(8,9)6-4-2-1-3-5-6/h15-18,31-36,43-44H,11-14,19-30H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t43-,44-,55-,56-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C6H5O3S
Molecular Weight	157.167
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C54H74N2O12
Molecular Weight	943.1716
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 `Wed Apr 02 16:57:41 GMT 2025` Edited by `admin` on `Wed Apr 02 16:57:41 GMT 2025`
Record UNII	W784VDM6N2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cisatracurium besilate impurity M besilate

Preferred Name

English

Cisatracurium-20-methyl dibenzenesulfonate

Common Name

English

2,2?-[1,6-Hexanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] besilate, (1R,1?R,2R,2?R)-

Systematic Name

English

(1R,1'R,2R,2'R)-2,2'-((hexane-1,6-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate

Systematic Name

English

Isoquinolinium, 2,2?-[1,6-hexanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R,1?R,2R,2?R)-, benzenesulfonate (1:2)

Systematic Name

English

Code System Code Type Description

CAS

1193104-85-6

Created by admin on Wed Apr 02 16:57:41 GMT 2025 , Edited by admin on Wed Apr 02 16:57:41 GMT 2025

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PUBCHEM

44251589

Created by admin on Wed Apr 02 16:57:41 GMT 2025 , Edited by admin on Wed Apr 02 16:57:41 GMT 2025

PRIMARY

FDA UNII

W784VDM6N2

Created by admin on Wed Apr 02 16:57:41 GMT 2025 , Edited by admin on Wed Apr 02 16:57:41 GMT 2025

PRIMARY

Related Record Type Details


					2THC2Z2PM2

2,2?-[1,6-Hexanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium], (1R,1?R,2R,2?R)-

PARENT -> SALT/SOLVATE

Amount: