Desdiacetylpancuronium bromide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H56N2O2.2Br
Molecular Weight	648.597
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Desdiacetylpancuronium bromide

Structure Search

SMILES

[Br-].[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@H](C[C@]34C)[N+]5(C)CCCCC5)[C@@H]1C[C@@H]([C@@H]2O)[N+]6(C)CCCCC6

InChI

InChIKey=RKUFZQXWVPBFDX-LKRYSLHCSA-L

InChI=1S/C31H56N2O2.2BrH/c1-30-14-13-24-23(25(30)20-26(29(30)35)32(3)15-7-5-8-16-32)12-11-22-19-28(34)27(21-31(22,24)2)33(4)17-9-6-10-18-33;;/h22-29,34-35H,5-21H2,1-4H3;2*1H/q+2;;/p-2/t22-,23+,24-,25-,26-,27-,28-,29-,30-,31-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

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

Molecular Formula	C31H56N2O2
Molecular Weight	488.7885
Charge	2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Muscle-type nicotinic acetylcholine receptor 65 Target ID: CHEMBL2362997 Sources: https://www.ncbi.nlm.nih.gov/pubmed/574733	Antagonist 2849

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:50:09 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:09 GMT 2025`
Record UNII	EE6O13WP0B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Desdiacetylpancuronium bromide

Common Name

English

PANCURONIUM BROMIDE IMPURITY C [EP IMPURITY]

Preferred Name

English

1,1?-(3?,17?-dihydroxy-5?-androstane-2?,16?-diyl)bis(1-methylpiperidinium) dibromide

Systematic Name

English

Piperidinium, 1,1?-[(2?,3?,5?,16?,17?)-3,17-dihydroxyandrostane-2,16-diyl]bis[1-methyl-, dibromide

Systematic Name

English

Code System Code Type Description

FDA UNII

EE6O13WP0B