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Substance Name: 2-Oxaspiro(4.5)decane-3-acetic acid, 1-oxo-3-phenyl-, 1-methyl-4-piperidyl ester
RN: 101834-42-8
InChIKey: UPRSSKYJUJQCLE-UHFFFAOYSA-N

Molecular Formula

  • C23-H31-N-O4

Molecular Weight

  • 385.501
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl 4-(1-carboxycyclohexyl)-3-hydroxy-3-phenylbutyrate gamma-lactone

Systematic Name

  • 2-Oxaspiro(4.5)decane-3-acetic acid, 1-oxo-3-phenyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101834-42-8

System Generated Number

  • 0101834428

Structure Descriptors

InChI

1S/C23H31NO4/c1-24-15-9-19(10-16-24)27-20(25)17-23(18-7-3-2-4-8-18)14-13-22(21(26)28-23)11-5-6-12-22/h2-4,7-8,19H,5-6,9-17H2,1H3

InChIKey

UPRSSKYJUJQCLE-UHFFFAOYSA-N

Smiles

c1([C@@]2(OC(C3(CCCC3)CC2)=O)CC(OC2CCN(C)CC2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11631,