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Substance Name: CB 845
RN: 33035-11-9
InChIKey: IOCXZCDJYXWXRC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-Cl-O3

Molecular Weight

  • 310.819
 
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Names and Synonyms

Results Name

  • CB 845

Synonyms

  • 3-Chloro-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid butyl ester
  • BRN 2874034
  • Butyl 3-chloro-4-(1-methylethyl)-gamma-oxobenzenebutanoate
  • CB 845

Systematic Name

  • Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-gamma-oxo-, butyl ester

Registry Numbers

CAS Registry Number

  • 33035-11-9

System Generated Number

  • 0033035119

Structure Descriptors

InChI

1S/C17H23ClO3/c1-4-5-10-21-17(20)9-8-16(19)13-6-7-14(12(2)3)15(18)11-13/h6-7,11-12H,4-5,8-10H2,1-3H3

InChIKey

IOCXZCDJYXWXRC-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)C(C)C)Cl)C(CCC(=O)OCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1360, 1974.