Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bemesetron [USAN:INN]
RN: 40796-97-2
UNII: O98T3677PA
InChIKey: MNJNPLVXBISNSX-WDNDVIMCSA-N

Note

  • Does not block smooth muscle contractile responses elicited by oxytocin or mediated through serotonin D-receptors, muscarinic or nicotinic cholinoreceptors or histamine H1-receptors except at relatively high concentrations; MDL 72699 is quaternary salt of MDL 72222.

Molecular Formula

  • C15-H17-Cl2-N-O2

Molecular Weight

  • 314.2103
 

Classification Codes

  • Anti-Emetic
  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Serotonin Agents
  • Serotonin Antagonists
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bemesetron
  • Bemesetron [USAN:INN]

Synonyms

  • 1alphaH,5alphaH-Tropan-3alpha-yl 3,5-dichlorobenzoate
  • Bemesetron
  • Bemesetronum
  • Bemesetronum [INN-Latin]
  • Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-
  • endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3,5-dichlorobenzoate
  • MDL 72,222
  • MDL 72222
  • Tropyl 3,5-dichlorobenzoate
  • UNII-O98T3677PA

Systematic Names

  • Benzoic acid, 3,5-dichloro-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester (9CI)
  • Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-

Registry Numbers

CAS Registry Number

  • 40796-97-2

FDA UNII

  • O98T3677PA

System Generated Number

  • 0040796972

Structure Descriptors

InChI

1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+

InChIKey

MNJNPLVXBISNSX-WDNDVIMCSA-N

Smiles

CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3cc(Cl)cc(Cl)c3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   United States Patent Document. Vol. #4563465,
mouse LD50 intravenous 24mg/kg (24mg/kg)   United States Patent Document. Vol. #4563465,
mouse LD50 oral 90mg/kg (90mg/kg)   United States Patent Document. Vol. #4563465,
rat LD50 intravenous 14mg/kg (14mg/kg)   United States Patent Document. Vol. #4563465,