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Substance Name: Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate
RN: 67195-97-5
InChIKey: HBJXDGSTZDYONO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N2-O2.Cl-H.H2-O

Molecular Weight

  • 467.049
 
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Names and Synonyms

Synonym

  • (4-(Dimethylamino)-2,2-diphenyl-1-ethyl)pentyl carbanilate hydrochloride hydrate

Systematic Name

  • Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 67195-97-5

System Generated Number

  • 0067195975

Molecular Formulas

Molecular Formula

  • C28-H34-N2-O2.Cl-H.H2-O

Molecular Formula Fragments

  • C28-H34-N2-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H34N2O2.ClH/c1-5-26(32-27(31)29-25-19-13-8-14-20-25)28(21-22(2)30(3)4,23-15-9-6-10-16-23)24-17-11-7-12-18-24;/h6-20,22,26H,5,21H2,1-4H3,(H,29,31);1H

InChIKey

HBJXDGSTZDYONO-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)([C@@H](OC(Nc1ccccc1)=O)CC)C[C@@H]([NH+](C)C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 134mg/kg (134mg/kg)   Journal of the American Chemical Society. Vol. 71, Pg. 57, 1949.