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Substance Name: Acetic acid, ((4-chlorophenyl)thio)-, compd. with 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)
RN: 105934-26-7
InChIKey: LGPUPDLCGAEXSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O2-S.C11-H19-N-O3

Molecular Weight

  • 403.9244
 
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Names and Synonyms

Synonym

  • ((4-Chlorophenyl)thio)acetic acid 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)

Systematic Name

  • Acetic acid, ((4-chlorophenyl)thio)-, compd. with 9,12-dioxa-7-azaspiro(5.6)dodecane-7-methanol (1:1)

Registry Numbers

CAS Registry Number

  • 105934-26-7

System Generated Number

  • 0105934267

Molecular Formulas

Molecular Formula

  • C8-H7-Cl-O2-S.C11-H19-N-O3

Molecular Formula Fragments

  • C11-H19-N-O3
  • C8-H7-Cl-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H19NO3.C8H7ClO2S/c12-8-11-9-13-6-7-14-10(11)4-2-1-3-5-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h12H,1-9H2;1-4H,5H2,(H,10,11)

InChIKey

LGPUPDLCGAEXSB-UHFFFAOYSA-N

Smiles

c1cc(ccc1SCC(=O)O)Cl.C1CCC2(CC1)N(COCCO2)CO

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.