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Substance Name: Clothiapine [USAN]
RN: 2058-52-8
UNII: Z05HCY0X1T
InChIKey: KAAZGXDPUNNEFN-UHFFFAOYSA-N

Note

  • Antipsychotic similar to clozapine.

Molecular Formula

  • C18-H18-Cl-N3-S

Molecular Weight

  • 343.8802
 

Classification Codes

  • Antipsychotic
  • Antipsychotic Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Psychotropic Drugs
  • Reproductive Effect
  • Tranquilizing Agents
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Names and Synonyms

Name of Substance

  • Clothiapine
  • Clothiapine [USAN]
  • Clotiapine [INN]

Synonyms

  • 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine
  • 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine
  • BRN 0568276
  • Clothiapine
  • Clotiapina
  • Clotiapina [INN-Spanish]
  • Clotiapine
  • Clotiapinum
  • Clotiapinum [INN-Latin]
  • Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
  • Dibenzothiazepine
  • EINECS 218-162-8
  • Entumin
  • Etumine
  • HF 2159
  • HF-2159
  • LW 2159
  • S-805C
  • UNII-Z05HCY0X1T
  • W 130

Systematic Names

  • Clotiapine
  • Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-

Registry Numbers

CAS Registry Number

  • 2058-52-8

FDA UNII

  • Z05HCY0X1T

System Generated Number

  • 0002058528

Structure Descriptors

InChI

InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3

InChIKey

KAAZGXDPUNNEFN-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 657, 1969.
mouse LD50 intramuscular 160mg/kg (160mg/kg)   Drugs in Japan Vol. 6, Pg. 234, 1982.
mouse LD50 intravenous 46mg/kg (46mg/kg)   Drugs in Japan Vol. 6, Pg. 234, 1982.
mouse LD50 oral 270mg/kg (270mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 841, 1965.
mouse LD50 subcutaneous 348mg/kg (348mg/kg)   Drugs in Japan Vol. 6, Pg. 234, 1982.
rat LD50 intramuscular > 300mg/kg (300mg/kg)   Drugs in Japan Vol. 6, Pg. 233, 1982.
rat LD50 intravenous 47mg/kg (47mg/kg)   Drugs in Japan Vol. -, Pg. 404, 1995.
rat LD50 oral 280mg/kg (280mg/kg)   Drugs in Japan Vol. 6, Pg. 234, 1982.
rat LD50 subcutaneous > 500mg/kg (500mg/kg)   Drugs in Japan Vol. 6, Pg. 233, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 119 deg C   EXP
log P (octanol-water) 3.840 (none)   EST
Atmospheric OH Rate Constant 1.94E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.