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Substance Name: Benzoic acid, 2-(((4-aminophenyl)thio)methyl)-, 3-(dimethylamino)propyl ester, hydrochloride,hydrate (1:2:1)
RN: 73150-36-4
InChIKey: QRZKGSRIICILEA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N2-O2-S.2Cl-H.H2-O

Molecular Weight

  • 417.398
 
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Names and Synonyms

Synonyms

  • 2-(((4-Aminophenyl)thio)methyl)benzoic acid 3-(dimethylamino)propyl ester HCl hydrate (1:2:1)
  • 3-Dimethylaminopropyl 2-(4-aminophenylthiomethyl)benzoate dihydrochloride monohydrate
  • VUFB-10667

Systematic Name

  • Benzoic acid, 2-(((4-aminophenyl)thio)methyl)-, 3-(dimethylamino)propyl ester, hydrochloride,hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 73150-36-4

System Generated Number

  • 0073150364

Molecular Formulas

Molecular Formula

  • C19-H24-N2-O2-S.2Cl-H.H2-O

Molecular Formula Fragments

  • C19-H24-N2-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H24N2O2S.2ClH/c1-21(2)12-5-13-23-19(22)18-7-4-3-6-15(18)14-24-17-10-8-16(20)9-11-17;;/h3-4,6-11H,5,12-14,20H2,1-2H3;2*1H

InChIKey

QRZKGSRIICILEA-UHFFFAOYSA-N

Smiles

c1(c(CSc2ccc([NH2+])cc2)cccc1)C(OCCC[NH+](C)C)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12mg/kg (12mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2689, 1979.