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Substance Name: Tropacocaine
RN: 537-26-8
UNII: 1I92X32F6H
InChIKey: XQJMXPAEFMWDOZ-BTTYYORXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N-O2

Molecular Weight

  • 245.3201
 
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Names and Synonyms

Name of Substance

  • Tropacocaine

Synonyms

  • 5-21-01-00226 (Beilstein Handbook Reference)
  • Benzilate of pseudotropanol
  • Benzoyl-psi-tropeine
  • Benzoylpseudotropeine
  • Benzoylpseudotropine
  • BRN 0084408
  • EINECS 208-662-4
  • exo-8-Methyl-8-azabicyclo(3.2.1)-octan-3-ol benzoate
  • o-Benzoyltropine
  • Pseudotropanol benzilate
  • Pseudotropine benzoate
  • Pseudotropine, benzoate (ester)
  • psi-Tropine benzoate
  • Tropacaine
  • Tropacocain
  • Tropacocaine
  • UNII-1I92X32F6H

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-beta-ol, benzoate (ester)
  • exo-8-Methyl-8-azabicyclo(3.2.1)octan-3-ol, benzoate (ester)
  • Tropacocaine

Registry Numbers

CAS Registry Number

  • 537-26-8

FDA UNII

  • 1I92X32F6H

Other Registry Number

  • 16175-58-9

System Generated Number

  • 0000537268

Structure Descriptors

InChI

1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14-

InChIKey

XQJMXPAEFMWDOZ-BTTYYORXSA-N

Smiles

CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 18mg/kg (18mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
frog LDLo subcutaneous 650mg/kg (650mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
guinea pig LDLo intraperitoneal 170mg/kg (170mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
guinea pig LDLo intravenous 25mg/kg (25mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
guinea pig LDLo subcutaneous 217mg/kg (217mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
mouse LD50 intravenous 69mg/kg (69mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 516, 1948.
mouse LDLo intraperitoneal 440mg/kg (440mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 5, Pg. 220, 1932.
mouse LDLo subcutaneous 50mg/kg (50mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
rabbit LDLo subcutaneous 300mg/kg (300mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.
rat LDLo intravenous 15mg/kg (15mg/kg)   Physiological Reviews. Vol. 12, Pg. 190, 1932.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 49 deg C   EXP
log P (octanol-water) 2.700 (none)   EST
Water Solubility 1700 mg/L 25 EXP
Vapor Pressure 5.64E-05 mm Hg 25 EST
Henry's Law Constant 1.38E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.33E-11 cm3/molecule-sec 25 EST

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