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Substance Name: 2-Propanol, 1-(3-acetylphenoxy)-3-(4-(3,4-dimethylphenyl)piperazinyl)-
RN: 63715-98-0
InChIKey: ICALPHVLOAKCMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O3

Molecular Weight

  • 382.501
 
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Names and Synonyms

Synonyms

  • Acetophenone, 3'-(2-hydroxy-3-(4-(3,4-xylyl)-1-piperazinyl)propoxy)-
  • BRN 0845256

Systematic Name

  • 2-Propanol, 1-(3-acetylphenoxy)-3-(4-(3,4-dimethylphenyl)piperazinyl)-

Registry Numbers

CAS Registry Number

  • 63715-98-0

System Generated Number

  • 0063715980

Structure Descriptors

InChI

1S/C23H30N2O3/c1-17-7-8-21(13-18(17)2)25-11-9-24(10-12-25)15-22(27)16-28-23-6-4-5-20(14-23)19(3)26/h4-8,13-14,22,27H,9-12,15-16H2,1-3H3

InChIKey

ICALPHVLOAKCMX-UHFFFAOYSA-N

Smiles

N1(c2cc(C)c(cc2)C)CCN(CC1)C[C@@H](COc1cc(C(=O)C)ccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 16, Pg. 797, 1973.