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Substance Name: Ketone, 3,3-dimethyl-4-(dimethylamino)-4-(p-tolyl)butyl p-tolyl
RN: 3215-87-0
InChIKey: WEQPIUHSPPACCR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O

Molecular Weight

  • 337.504
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-4-(dimethylamino)-4-(p-tolyl)butyl p-tolyl ketone
  • BRN 2756945

Systematic Name

  • Ketone, 3,3-dimethyl-4-(dimethylamino)-4-(p-tolyl)butyl p-tolyl

Registry Numbers

CAS Registry Number

  • 3215-87-0

System Generated Number

  • 0003215870

Structure Descriptors

InChI

1S/C23H31NO/c1-17-7-11-19(12-8-17)21(25)15-16-23(3,4)22(24(5)6)20-13-9-18(2)10-14-20/h7-14,22H,15-16H2,1-6H3

InChIKey

WEQPIUHSPPACCR-UHFFFAOYSA-N

Smiles

c1([C@@H](C(CCC(c2ccc(C)cc2)=O)(C)C)N(C)C)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 755mg/kg (755mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 187, 1966.