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Substance Name: alpha-Conhydrine
RN: 495-20-5
UNII: Q21EOC14Q2
InChIKey: VCCAAURNBULZRR-JGVFFNPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H17-N-O

Molecular Weight

  • 143.2283
 
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Names and Synonyms

Name of Substance

  • alpha-Conhydrine

Synonyms

  • (+)-Conhydrine
  • (R-(R*,S*))-alpha-Ethyl-2-piperidinemethanol
  • 5-21-01-00138 (Beilstein Handbook Reference)
  • BRN 0080052
  • EINECS 207-798-1
  • Oxyconine
  • UNII-Q21EOC14Q2

Systematic Names

  • 2-Piperidinemethanol, alpha-ethyl-, (R-(R*,S*))- (9CI)
  • Conhydrine

Registry Numbers

CAS Registry Number

  • 495-20-5

FDA UNII

  • Q21EOC14Q2

System Generated Number

  • 0000495205

Structure Descriptors

InChI

1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1

InChIKey

VCCAAURNBULZRR-JGVFFNPUSA-N

Smiles

CC[C@@H](O)[C@@H]1CCCCN1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 400ug/kg (0.4mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 593, 1948.
guinea pig LDLo subcutaneous 400ug/kg (0.4mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 593, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 121 deg C   EXP
Boiling Point 226 deg C   EXP
log P (octanol-water) 1.050 (none)   EST
Atmospheric OH Rate Constant 1.17E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.