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Substance Name: Benzhydrol, 2-(3-(diethylamino)propoxy)-alpha-phenyl-, hydrobromide, hemihydrate
RN: 67011-50-1
InChIKey: WXNHLRAVRZBQEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N-O2.Br-H.1/2H2-O

Molecular Weight

  • 958.9104
 
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Names and Synonyms

Synonym

  • 2-(3-(Diethylamino)propoxy)-alpha-phenylbenzhydrol hydrobromide hemihydrate

Systematic Name

  • Benzhydrol, 2-(3-(diethylamino)propoxy)-alpha-phenyl-, hydrobromide, hemihydrate

Registry Numbers

CAS Registry Number

  • 67011-50-1

System Generated Number

  • 0067011501

Molecular Formulas

Molecular Formula

  • C26-H31-N-O2.Br-H.1/2H2-O

Molecular Formula Fragments

  • Br-H
  • C26-H31-N-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C26H31NO2.2BrH.H2O/c2*1-3-27(4-2)20-13-21-29-25-19-12-11-18-24(25)26(28,22-14-7-5-8-15-22)23-16-9-6-10-17-23;;;/h2*5-12,14-19,28H,3-4,13,20-21H2,1-2H3;2*1H;1H2

InChIKey

WXNHLRAVRZBQEZ-UHFFFAOYSA-N

Smiles

CCN(CC)CCCOc1ccccc1C(c2ccccc2)(c3ccccc3)O.CCN(CC)CCCOc1ccccc1C(c2ccccc2)(c3ccccc3)O.O.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.