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Substance Name: Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (1-methyl-4-piperidyl)methyl ester
RN: 101564-13-0
InChIKey: BDEINROOCIBWNG-UHFFFAOYSA-N

Molecular Formula

  • C21-H31-N-O3

Molecular Weight

  • 345.4799
 
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Names and Synonyms

Synonyms

  • (1-Methyl-4-piperidyl)methyl(1-hydroxycyclohexyl)phenylacetate
  • 1-Hydroxy-alpha-phenylcyclohexaneacetic acid (1-methyl-4-piperidyl)methyl ester
  • RTECS HF7476000

Systematic Name

  • Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (1-methyl-4-piperidyl)methyl ester

Registry Numbers

CAS Registry Number

  • 101564-13-0

System Generated Number

  • 0101564130

Structure Descriptors

InChI

1S/C21H31NO3/c1-22-14-10-17(11-15-22)16-25-20(23)19(18-8-4-2-5-9-18)21(24)12-6-3-7-13-21/h2,4-5,8-9,17,19,24H,3,6-7,10-16H2,1H3

InChIKey

BDEINROOCIBWNG-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)COC(=O)C(c2ccccc2)C3(CCCCC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11454,