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Substance Name: Homatropine hydrobromide [USP:JAN]
RN: 51-56-9
UNII: BEW7469QZ0
InChIKey: DWSGTFTVBLXELC-RDYJJYPNSA-N

Classification Codes

  • Anticholinergic (Ophthalmic)
  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O3.Br-H

Molecular Weight

  • 356.2578
 
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Names and Synonyms

Name of Substance

  • Homatropine hydrobromide [USP:JAN]

Synonyms

  • (+-)-Homatropine bromide
  • 1alphaH,5alphaH-Tropan-3alpha-ol mandelate (ester) hydrobromide
  • Benzeneacetic acid, alpha-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, HBr, endo-(+-)
  • Benzeneacetic acid, alpha-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide, endo-(+-)-
  • EINECS 200-105-3
  • Homatropine (bromhydrate d')
  • Homatropine dl- hydrobromide
  • Homatropine hydrobromide
  • Homatropini bromidum
  • Homatropini hydrobromidum
  • Homatropinum hydrobromicum
  • Isopto Homatropine
  • NSC 757047
  • UNII-BEW7469QZ0

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester), hydrobromide
  • Benzeneacetic acid, alpha-hydroxy-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide
  • Benzeneacetic acid, alpha-hydroxy-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide (1:1)
  • Benzeneacetic acid, alpha-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrobromide, endo-(+-)-
  • Homatropine hydrobromide

Registry Numbers

CAS Registry Number

  • 51-56-9

FDA UNII

  • BEW7469QZ0

System Generated Number

  • 0000051569

Molecular Formulas

Molecular Formula

  • C16-H21-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H21-N-O3
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C16H21NO3.BrH/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;1H/t12-,13+,14+,15?;

InChIKey

DWSGTFTVBLXELC-RDYJJYPNSA-N

Smiles

Br.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 intravenous 107mg/kg (107mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 1, 1949.
rat LD50 intraperitoneal 154mg/kg (154mg/kg)   Drugs in Japan Vol. 6, Pg. 789, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 250 dec deg C   EXP
log P (octanol-water) -0.650 (none)   EST
Water Solubility 1.49E+05 mg/L 25 EXP
Vapor Pressure 1.09E-14 mm Hg 25 EST
Henry's Law Constant 4.40E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.24E-11 cm3/molecule-sec 25 EST

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