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Substance Name: Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy)-1-propanol (1:1)
RN: 105892-12-4
InChIKey: ZPSPDMSTNVYGKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O2-S.C10-H21-N-O3

Molecular Weight

  • 405.94
 
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Names and Synonyms

Synonym

  • ((4-Chlorophenyl)thio)acetic acid 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy-1-propanol (1:1)

Systematic Name

  • Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy)-1-propanol (1:1)

Registry Numbers

CAS Registry Number

  • 105892-12-4

System Generated Number

  • 0105892124

Molecular Formulas

Molecular Formula

  • C8-H7-Cl-O2-S.C10-H21-N-O3

Molecular Formula Fragments

  • C10-H21-N-O3
  • C8-H7-Cl-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H21NO3.C8H7ClO2S/c12-7-4-8-14-10(11-9-13)5-2-1-3-6-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h11-13H,1-9H2;1-4H,5H2,(H,10,11)

InChIKey

ZPSPDMSTNVYGKP-UHFFFAOYSA-N

Smiles

C1(CCCCC1)(OCCCO)NCO.c1(ccc(Cl)cc1)SCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 180, 1986.