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Substance Name: Pseudotropine
RN: 135-97-7
UNII: L9Q7Z9D09L
InChIKey: CYHOMWAPJJPNMW-RNLVFQAGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-N-O

Molecular Weight

  • 141.2125
 
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Names and Synonyms

Name of Substance

  • Pseudotropine

Synonyms

  • 3-beta-Tropanol
  • 3-Pseudotropanol
  • 3beta-Tropanol
  • 5-21-01-00219 (Beilstein Handbook Reference)
  • BRN 0080189
  • EINECS 205-226-5
  • exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol
  • NSC 43871
  • Pseudotropanol
  • Pseudotropine
  • psi-Tropine
  • UNII-L9Q7Z9D09L

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-beta-ol
  • 1alphaH,5alphaH-Tropan-3beta-ol (8CI)
  • 8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, exo- (9CI)
  • exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol

Registry Numbers

CAS Registry Number

  • 135-97-7

FDA UNII

  • L9Q7Z9D09L

System Generated Number

  • 0000135977

Structure Descriptors

InChI

1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-

InChIKey

CYHOMWAPJJPNMW-RNLVFQAGSA-N

Smiles

CN1[C@@H]2CC[C@H]1C[C@@H](C2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Annales de Chimie. Vol. 7, Pg. 537, 1962.
rabbit LD50 intravenous > 50mg/kg (50mg/kg)   Annales de Chimie. Vol. 7, Pg. 537, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 109 deg C   EXP
Boiling Point 241 deg C   EXP
log P (octanol-water) 0.240 (none)   EST
Atmospheric OH Rate Constant 5.73E-11 cm3/molecule-sec 25 EST

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