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Substance Name: 1(2H)-Isocarbostyril, 3,4-dihydro-6-tert-butyl-2,3-dimethyl-4-phenyl-, (E)-
RN: 41958-49-0
InChIKey: AJEOKJMTTSWPJO-IFXJQAMLSA-N

Molecular Formula

  • C21-H25-N-O

Molecular Weight

  • 307.435
 
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Names and Synonyms

Synonyms

  • 1(2H)-Isocarbostyril, 6-tert-butyl-3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
  • 1(2H)-Isoquinolone, 6-tert-butyl-3,4-dihydro-2,3-dimethyl-4-phenyl-, (E)-
  • trans-6-tert-Butyl-3,4-dihydro-2,3-dimethyl-4-phenyl-1(2H)-isocarbostyril

Systematic Name

  • 1(2H)-Isocarbostyril, 3,4-dihydro-6-tert-butyl-2,3-dimethyl-4-phenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 41958-49-0

System Generated Number

  • 0041958490

Structure Descriptors

InChI

1S/C21H25NO/c1-14-19(15-9-7-6-8-10-15)18-13-16(21(2,3)4)11-12-17(18)20(23)22(14)5/h6-14,19H,1-5H3/t14-,19+/m0/s1

InChIKey

AJEOKJMTTSWPJO-IFXJQAMLSA-N

Smiles

c12[C@@H](c3ccccc3)[C@@H](N(C)C(c1ccc(c2)C(C)(C)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.