Desdiacetylpancuronium bromide

Details

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

SHOW SMILES / InChI

Structure of Desdiacetylpancuronium bromide

Structure Search

SMILES

[Br-].[Br-].[H][C@@]1(C[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)[C@]([H])(C[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@H]1O)[N+]5(C)CCCCC5)[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	C31H56N2O2
Molecular Weight	488.7885
Charge	2
Count

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

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

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 2778

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:46:25 GMT 2023` Edited by `admin` on `Sat Dec 16 09:46:25 GMT 2023`
Record UNII	EE6O13WP0B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Desdiacetylpancuronium bromide

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

PANCURONIUM BROMIDE IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

EE6O13WP0B