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Substance Name: Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
RN: 148671-62-9
InChIKey: QBKAFPLMDWRACW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N-O

Molecular Weight

  • 175.2297
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-3,4-dihydroisoquinoline N-oxide
  • 3,4-Dihydro-3,3-dimethylisoquinoline 2-oxide

Systematic Name

  • Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide

Registry Numbers

CAS Registry Number

  • 148671-62-9

System Generated Number

  • 0148671629

Structure Descriptors

InChI

1S/C11H13NO/c1-11(2)7-9-5-3-4-6-10(9)8-12(11)13/h3-6,8H,7H2,1-2H3

InChIKey

QBKAFPLMDWRACW-UHFFFAOYSA-N

Smiles

CC1(Cc2ccccc2C=[N+]1[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 39, Pg. 4997, 1996.