chempirical

Pancuronium bromide

C35H60Br2N2O4CAS 15500-66-0732.68 g/mol

Open in Covalent MOL file
OON+OON+Br−Br−
EsterQuaternary ammonium

Properties

Molecular formula
C35H60Br2N2O4
Molar mass
732.68 g/mol
Exact mass
730.2920 Da
Melting point
215 °C
logP
0.12Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Stereocentres
S, S, R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
15500-66-0
SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-]
InChIKey
NPIJXCQZLFKBMV-YTGGZNJNSA-L
InChI
InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Piperidinium, 1,1′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1-methyl-, dibromide
  • Piperidinium, 1,1′-(3α,17β-dihydroxy-5α-androstan-2β,16β-ylene)bis[1-methyl-, dibromide, diacetate
  • 5α-Androstane-3α,17β-diol, 2β,16β-bis(1-methylpiperidinio)-, dibromide, diacetate
  • Androstane, piperidinium deriv.
  • NA 97
  • 2β,16β-Dipiperidino-5α-androstane-3α,17β-diol diacetate dimethobromide
  • Pancuronium dibromide
  • 1,1′-(3α,17β-Dihydroxy-5α-androstan-2β,16β-ylene)bis[1-methylpiperidinium] dibromide diacetate
  • Pavulon
  • Pancuronium
  • Mioblock
  • Org-NE 35
  • Org NA 97
  • NSC 293162
  • Bromurex

Work with Pancuronium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Vecuronium50700-72-681 % similar Pipecuronium bromide52212-02-961 % similar Rocuronium bromide119302-91-953 % similar 2β-(4-Morpholinyl)-16β-(1-pyrrolidinyl)-5α-androstane-3α,17β-diol 17-acetate119302-24-847 % similar 3β-Acetoxy-5α-androstan-17-one1239-31-240 % similar 3-Acetyloxypregn-16-en-20-one1169-20-638 % similar Methenolone acetate434-05-935 % similar (2β,3α,5α,16β,17β)-2,16-Di-1-piperidinylandrostane-3,17-diol13522-16-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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