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Substance Name: 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester
RN: 22131-65-3
InChIKey: CDPQBPCIYSCKCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-Cl-N3-O2-S

Molecular Weight

  • 317.839
 
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Names and Synonyms

Synonym

  • 5-Chloro-3-methyl-4-isothiazolecarboxylic acid 3-(4-methyl-1-piperazinyl)propyl ester

Systematic Name

  • 4-Isothiazolecarboxylic acid, 5-chloro-3-methyl-, 3-(4-methyl-1-piperazinyl)propyl ester

Registry Numbers

CAS Registry Number

  • 22131-65-3

System Generated Number

  • 0022131653

Structure Descriptors

InChI

1S/C13H20ClN3O2S/c1-10-11(12(14)20-15-10)13(18)19-9-3-4-17-7-5-16(2)6-8-17/h3-9H2,1-2H3

InChIKey

CDPQBPCIYSCKCQ-UHFFFAOYSA-N

Smiles

c1(c(nsc1Cl)C)C(OCCCN1CCN(C)CC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 263mg/kg (263mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: IRRITABILITY
Archivum Immunologiae et Therapiae Experimentalis. Vol. 21, Pg. 329, 1973.
mouse LD50 oral 2288mg/kg (2288mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: IRRITABILITY
Archivum Immunologiae et Therapiae Experimentalis. Vol. 21, Pg. 329, 1973.