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Substance Name: Itasetron hydrochloride
RN: 127618-28-4
UNII: 958C27ZK8Y
InChIKey: WKDOOXQPGYZUKZ-XSYYVRJTSA-N

Note

  • A potent 5HT-3 receptor antagonist.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N4-O2.Cl-H

Molecular Weight

  • 336.8209
 
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Names and Synonyms

Name of Substance

  • Itasetron hydrochloride

Synonyms

  • DAU 6215
  • UNII-958C27ZK8Y

Systematic Names

  • 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-((3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-, monohydrochloride
  • 1H-Benzimidazole-1-carboxamide, 2,3-dihydro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-, monohydrochloride, endo-

Registry Numbers

CAS Registry Number

  • 127618-28-4

FDA UNII

  • 958C27ZK8Y

Related Registry Number

  • 123258-84-4 (Parent)

System Generated Number

  • 0127618284

Molecular Formulas

Molecular Formula

  • C16-H20-N4-O2.Cl-H

Molecular Formula Fragments

  • C16-H20-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N4O2.ClH/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22;/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22);1H/t10-,11+,12-;

InChIKey

WKDOOXQPGYZUKZ-XSYYVRJTSA-N

Smiles

c1cccc2c1[nH]c(=O)n2C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 30mg/kg (30mg/kg) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 1033, 1993.
mouse LD oral > 100mg/kg (100mg/kg) BEHAVIORAL: TREMOR

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 1033, 1993.