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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H58N2O3.2Br
Molecular Weight 690.633
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DACURONIUM BROMIDE

SMILES

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

InChI

InChIKey=SUKULMJPMHYWKC-GMMLHHOXSA-L
InChI=1S/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C33H57N2O3
Molecular Weight 529.8173
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Dacuronium is an aminosteroid, acting as a competitive antagonist of nicotinic acetylcholine receptors. In animals, dacuronium worked as a short-acting muscle relaxant with a rapid onset of action. In a clinical trial, dacuronium was markedly less potent than tubocurarine and did not show a rapid recovery from its action.

Approval Year

PubMed

Substance Class Chemical
Record UNII
33482245B6
Record Status Validated (UNII)
Record Version