Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-6-tert-butyl-2,3-dimethyl-4-phenyl-, (E)-
RN: 41958-50-3
InChIKey: JDTBFWLXSQSTFR-OOJLDXBWSA-N

Molecular Formula

  • C21-H27-N

Molecular Weight

  • 293.451
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-20-08-00188 (Beilstein Handbook Reference)
  • BRN 1387043
  • Isoquinoline, 6-tert-butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, (E)-
  • trans-6-tert-Butyl-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-6-tert-butyl-2,3-dimethyl-4-phenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 41958-50-3

System Generated Number

  • 0041958503

Structure Descriptors

InChI

1S/C21H27N/c1-15-20(16-9-7-6-8-10-16)19-13-18(21(2,3)4)12-11-17(19)14-22(15)5/h6-13,15,20H,14H2,1-5H3/t15-,20?/m0/s1

InChIKey

JDTBFWLXSQSTFR-OOJLDXBWSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.