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Substance Name: Homatropine [INN:BAN]
RN: 87-00-3
UNII: 8QS6WCL55Z
InChIKey: ZTVIKZXZYLEVOL-MCOXGKPRSA-N

Classification Codes

  • Autonomic Agents
  • Parasympatholytics
  • Peripheral Nervous System Agents

Molecular Formula

  • C16-H21-N-O3

Molecular Weight

  • 275.3459
 
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Names and Synonyms

Name of Substance

  • Homatropine
  • Homatropine [INN:BAN]

Synonyms

  • (+-)-Homatropine
  • (RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat
  • 3alpha-Tropylmandelat
  • 5-21-01-00234 (Beilstein Handbook Reference)
  • BRN 0087959
  • DL-Mandelsaeure-tropylester
  • EINECS 201-716-8
  • Homatropin
  • Homatropine
  • Homoatropine
  • Homotropine
  • Mandelic acid, 3d-tropanyl ester
  • Mandelyltropeine
  • Mandelytropeine
  • Methylhomatropinum
  • Omatropina
  • Omatropina [DCIT]
  • Tropine, mandelate (ester)
  • Tropinmandelsaeureester
  • UNII-8QS6WCL55Z

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester)
  • Homatropine

Registry Numbers

CAS Registry Number

  • 87-00-3

FDA UNII

  • 8QS6WCL55Z

Other Registry Numbers

  • 104441-60-3
  • 16175-83-0

System Generated Number

  • 0000087003

Structure Descriptors

InChI

InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?

InChIKey

ZTVIKZXZYLEVOL-MCOXGKPRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 370mg/kg (370mg/kg)   French Demande Patent Document. Vol. #2035763,
mouse LD50 oral 1307mg/kg (1307mg/kg)   French Demande Patent Document. Vol. #2035763,
mouse LD50 subcutaneous 1800mg/kg (1800mg/kg)   French Demande Patent Document. Vol. #2035763,
rat LDLo intraperitoneal 180mg/kg (180mg/kg)   Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 99.5 deg C   EXP
log P (octanol-water) 1.420 (none)   EST
Water Solubility 1.00E+04 mg/L 15 EXP
Vapor Pressure 6.98E-08 mm Hg 25 EST
Henry's Law Constant 8.78E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.84E-11 cm3/molecule-sec 25 EST

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