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Substance Name: (Bicyclohexyl)-delta(sup 4,alpha)-acetic acid, 4'-oxo-, 2-(dimethylamino)ethyl ester
RN: 14031-30-2
InChIKey: KUHAWNWMQMPISO-YPKPFQOOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O3

Molecular Weight

  • 307.431
 
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Names and Synonyms

Synonyms

  • 2-Dimethylaminoethyl 4-(4-oxocyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate
  • BRN 2658936

Systematic Name

  • (Bicyclohexyl)-delta(sup 4,alpha)-acetic acid, 4'-oxo-, 2-(dimethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 14031-30-2

System Generated Number

  • 0014031302

Structure Descriptors

InChI

1S/C18H29NO3/c1-19(2)11-12-22-18(21)13-14-3-5-15(6-4-14)16-7-9-17(20)10-8-16/h13,15-16H,3-12H2,1-2H3/b14-13-

InChIKey

KUHAWNWMQMPISO-YPKPFQOOSA-N

Smiles

C1(CC\C(CC1)=C/C(=O)OCCN(C)C)C1CCC(CC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 2mg/kg (2mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Medicinal Chemistry. Vol. 10, Pg. 593, 1967.