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Substance Name: Acetophenone, 2-(dimethylamino)-2-phenyl-, hydrochloride, hemihydrate
RN: 1633-40-5
InChIKey: VUXWILCYNVUJMB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O.Cl-H.1/2H2-O

Molecular Weight

  • 275.777
 
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Names and Synonyms

Synonym

  • 2-Dimethylamino-2-phenylacetophenone hydrochloride hemihydrate

Systematic Name

  • Acetophenone, 2-(dimethylamino)-2-phenyl-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 1633-40-5

System Generated Number

  • 0001633405

Molecular Formulas

Molecular Formula

  • C16-H17-N-O.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C16-H17-N-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H17NO.ClH/c1-17(2)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14;/h3-12,15H,1-2H3;1H

InChIKey

VUXWILCYNVUJMB-UHFFFAOYSA-N

Smiles

c1([C@@H](C(c2ccccc2)=O)[NH+](C)C)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 112mg/kg (112mg/kg) BEHAVIORAL: ANALGESIA Chemical and Pharmaceutical Bulletin. Vol. 12, Pg. 191, 1964.