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Substance Name: Dacuronium bromide [INN:BAN]
RN: 27115-86-2
UNII: 33482245B6
InChIKey: SUKULMJPMHYWKC-GMMLHHOXSA-L

Molecular Formulas

  • C33-H58-Br2-N2-O3
  • C33-H58-N2-O3.2Br

Molecular Weight

  • 690.6402
 
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Names and Synonyms

Name of Substance

  • Dacuronium bromide [INN:BAN]

Synonyms

  • 1,1'-((2bea,3alpha,5alpha,16beta,17beta)-3-(Acetyloxy)-17-hydroxyandrostane-2,16-diyl)bis(1-methylperidinium)dibromide
  • 2-beta, 16-beta-Dipiperidino-5-alpha-androstan-3-alpha,17-beta-diol 3-acetate dimethobromide
  • 3-alpha-Acetoxy-2-beta,16-beta-dipiperidino-5-alpha-androstan-17-beta-ol dimethobromide
  • 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, 3alpha-acetate
  • Bromure de dacuronium
  • Bromure de dacuronium [INN-French]
  • Bromuro de dacuronio
  • Bromuro de dacuronio [INN-Spanish]
  • Dacuronii bromidum
  • Dacuronii bromidum [INN-Latin]
  • Dacuronium bromide
  • EINECS 248-233-9
  • NB 68
  • NB68
  • ORG 6368
  • UNII-33482245B6

Systematic Names

  • 3alpha,17beta-Dihydroxy-5alpha-androstan-2beta,16beta-ylene)bis-(1-methylpiperidinium)dibromide 3-acetate
  • Dacuronium bromide
  • Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, 3-alpha-acetate

Registry Numbers

CAS Registry Number

  • 27115-86-2

FDA UNII

  • 33482245B6

Other Registry Numbers

  • 27115-87-3
  • 73319-27-4

System Generated Number

  • 0027115862

Molecular Formulas

Molecular Formulas

  • C33-H58-Br2-N2-O3
  • C33-H58-N2-O3.2Br

Molecular Formula Fragments

  • Br
  • C33-H58-N2-O3
  • COMPONENT

Structure Descriptors

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

InChIKey

SUKULMJPMHYWKC-GMMLHHOXSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2910ug/kg (2.91mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1116, 1973.