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Substance Name: 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
RN: 41958-52-5
InChIKey: AWRSALJVHLUCAT-BLLLJJGKSA-N

Molecular Formula

  • C17-H17-N-O

Molecular Weight

  • 251.327
 
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Names and Synonyms

Synonyms

  • 1(2H)-Isoquinolone, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
  • BRN 1469112
  • trans-3,4-Dihydro-2,3-dimethyl-4-phenyl-1(2H)-isocarbostyril

Systematic Name

  • 1(2H)-Isocarbostyril, 3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 41958-52-5

System Generated Number

  • 0041958525

Structure Descriptors

InChI

1S/C17H17NO/c1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(19)18(12)2/h3-12,16H,1-2H3/t12-,16+/m0/s1

InChIKey

AWRSALJVHLUCAT-BLLLJJGKSA-N

Smiles

c12[C@@H](c3ccccc3)[C@@H](N(C)C(c1cccc2)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.