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Substance Name: 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-
RN: 96863-69-3
InChIKey: NTLHUUOZCDMCSK-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C14-H20-O2

Molecular Weight

  • 220.31
 
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Names and Synonyms

Synonyms

  • 3-Hydroxy-1-phenyl-2,2,4-trimethyl-1-pentanone
  • 3-Hydroxy-2,2,4-trimethylvalerophenone
  • BRN 3607323
  • Valerophenone, 3-hydroxy-2,2,4-trimethyl-

Systematic Name

  • 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-

Registry Numbers

CAS Registry Number

  • 96863-69-3

System Generated Number

  • 0096863693

Structure Descriptors

InChI

1S/C14H20O2/c1-10(2)12(15)14(3,4)13(16)11-8-6-5-7-9-11/h5-10,12,15H,1-4H3

InChIKey

NTLHUUOZCDMCSK-UHFFFAOYSA-N

Smiles

C(C([C@@H](C(C)C)O)(C)C)(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 41, 1985.