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Substance Name: Pentacynium bis(methyl sulfate)
RN: 3810-83-1
UNII: M0S95LVC4O
InChIKey: STTOCSZNTPWKMI-UHFFFAOYSA-L

Molecular Formula

  • C27-H39-N3-O.2C-H3-O4-S

Molecular Weight

  • 643.8185
 
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Names and Synonyms

Name of Substance

  • Pentacynium bis(methyl sulfate)

Synonyms

  • 4-(2-((5-Cyano-5,5-diphenylpentyl)methylamino)ethyl)-4-methylmorpholinium methyl sulfate methosulfate
  • Benzenepentanaminium, epsilon-cyano-N,N-dimethyl-N-(2-(4-methylmorpholinium-4-yl)ethyl)-epsilon-phenyl-, methyl sulfate (1:2)
  • Morpholinium, 4-(2-((5-cyano-5,5-diphenylpentyl)dimethylammonio)ethyl)-4-methyl-, bis(methyl sulfate)
  • N1-(5-Cyano-5,5-diphenylpentyl)-N1,N1,N2-trimethylethylene-1-ammonium-2-morpholinium bismethylsulfate
  • Pentacynium bis(methyl sulfate)
  • Pentacynium bis(methyl sulfate) [WHO-DD]
  • Pentacynium bis(methylsulfate) [MI]
  • Pentacyone mesylate
  • Presidal bis(methyl sulfate)
  • UNII-M0S95LVC4O

Registry Numbers

CAS Registry Number

  • 3810-83-1

FDA UNII

  • M0S95LVC4O

System Generated Number

  • 0003810831

Structure Descriptors

InChI

1S/C27H39N3O.2CH4O4S/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26;2*1-5-6(2,3)4/h4-9,12-15H,10-11,16-23H2,1-3H3;2*1H3,(H,2,3,4)/q+2;;/p-2

InChIKey

STTOCSZNTPWKMI-UHFFFAOYSA-L

Smiles

C[N+]1(CCOCC1)CC[N+](C)(C)CCCCC(C#N)(c2ccccc2)c3ccccc3.COS(=O)(=O)[O-].COS(=O)(=O)[O-]