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Substance Name: 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-methyl-, (Z)-
RN: 54915-17-2
InChIKey: VCKXFJPCDAIJNT-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N

Molecular Weight

  • 187.284
 
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Names and Synonyms

Synonyms

  • 5-20-07-00181 (Beilstein Handbook Reference)
  • BRN 1241918
  • cis-2-Methyl-3a,4,5,9b-tetrahydrobenzo(e)isoindoline

Systematic Name

  • 2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-methyl-, (Z)-

Registry Numbers

CAS Registry Number

  • 54915-17-2

System Generated Number

  • 0054915172

Structure Descriptors

InChI

1S/C13H17N/c1-14-8-11-7-6-10-4-2-3-5-12(10)13(11)9-14/h2,4,6-7,11,13H,3,5,8-9H2,1H3

InChIKey

VCKXFJPCDAIJNT-UHFFFAOYSA-N

Smiles

C=12[C@@H]3[C@@H](C[N@@](C3)C)C=CC1C=CCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 206, 1975.