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Substance Name: 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-tert-butyl-3-methyl-4-phenyl-, ethyl ester, (E)-
RN: 41958-51-4
InChIKey: ZPCHXUDRSPXTMC-UHFFFAOYSA-N

Molecular Formula

  • C23-H29-N-O2

Molecular Weight

  • 351.487
 
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Names and Synonyms

Synonyms

  • 5-20-08-00188 (Beilstein Handbook Reference)
  • BRN 1597670
  • trans-Ethyl 6-tert-butyl-3-methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Systematic Name

  • 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-tert-butyl-3-methyl-4-phenyl-, ethyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 41958-51-4

System Generated Number

  • 0041958514

Structure Descriptors

InChI

1S/C23H29NO2/c1-6-26-22(25)24-15-18-12-13-19(23(3,4)5)14-20(18)21(16(24)2)17-10-8-7-9-11-17/h7-14,16,21H,6,15H2,1-5H3

InChIKey

ZPCHXUDRSPXTMC-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccccc3)[C@@H](N(C(OCC)=O)Cc1ccc(c2)C(C)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 159mg/kg (159mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.