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Substance Name: Chloropyrilene [INN:BAN]
RN: 148-65-2
UNII: Y6068K376I
InChIKey: XAEXSWVTEJHRMH-UHFFFAOYSA-N

Note

  • Not carcinogenic.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl-N3-S

Molecular Weight

  • 295.836
 
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Names and Synonyms

Name of Substance

  • Chloropyrilene [INN:BAN]
  • Chlorothen

Synonyms

  • 1,2-Ethanediamine, N-((5-chloro-2-thienyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-
  • 2-((5-Chloro-2-thenyl)(2-dimethylaminoethyl)amino)pyridine
  • 2-Thenylamine, 5-chloro-N-(2-(dimethylamino)ethyl)-N-2-pyridyl-
  • 4-22-00-03951 (Beilstein Handbook Reference)
  • BRN 0261143
  • CCRIS 4768
  • Chloromethapyrilene
  • Chloropyrilene
  • Chloropyrilenum
  • Chloropyrilenum [INN-Latin]
  • Chlorothen
  • Chlorothenylpyramine
  • Chlorpyrilenum
  • Chlorthenylpyramine
  • Cloropirilenio
  • Cloropirilenio [INN-Spanish]
  • Ethylenediamine, N-(5-chloro-2-thenyl)-N',N'-dimethyl-N-2-pyridyl-
  • Histachlorylene
  • HSDB 5183
  • N,N-Dimethyl-N'-(2-pyridyl)-N'-(5-chloro-2-thenyl)ethylenediamine
  • NCI-C60559
  • Pyridine, 2-((5-chloro-2-thenyl)(2-(dimethylamino)ethyl)amino)-
  • Pyrithen
  • Tagathen
  • UNII-Y6068K376I

Systematic Names

  • 1,2-Ethanediamine, N-((5-chloro-2-thienyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-
  • Chlorothen
  • Pyridine, 2-((5-chloro-2-thenyl)(2-(dimethylamino)ethyl)amino)-

Registry Numbers

CAS Registry Number

  • 148-65-2

FDA UNII

  • Y6068K376I

Related Registry Number

  • 148-64-1 (citrate)

System Generated Number

  • 0000148652

Structure Descriptors

InChI

1S/C14H18ClN3S/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12/h3-8H,9-11H2,1-2H3

InChIKey

XAEXSWVTEJHRMH-UHFFFAOYSA-N

Smiles

N(c1ccccn1)(Cc1ccc(s1)Cl)CCN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 105mg/kg (105mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 388, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 3.190 (none)   EST
Water Solubility 2010 mg/L 37 EXP
Atmospheric OH Rate Constant 1.35E-10 cm3/molecule-sec 25 EST

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