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Substance Name: Isovaleric acid, 4-piperidinocyclohexyl ester, hydrochloride
RN: 1532-05-4
InChIKey: CUBLZSXOFFXSAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H29-N-O2.Cl-H

Molecular Weight

  • 303.871
 
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Names and Synonyms

Synonym

  • Butanoic acid, 3-methyl-, 4-(1-piperidinyl)cyclohexyl ester, hydrochloride

Systematic Name

  • Isovaleric acid, 4-piperidinocyclohexyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 1532-05-4

System Generated Number

  • 0001532054

Molecular Formulas

Molecular Formula

  • C16-H29-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H29-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H29NO2.ClH/c1-13(2)12-16(18)19-15-8-6-14(7-9-15)17-10-4-3-5-11-17;/h13-15H,3-12H2,1-2H3;1H

InChIKey

CUBLZSXOFFXSAL-UHFFFAOYSA-N

Smiles

C1([NH+]2CCCCC2)CCC(OC(CC(C)C)=O)CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 670mg/kg (670mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Pharmacia Mediterranea. Vol. 6, Pg. 117, 1966.