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Substance Name: Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-
RN: 36918-77-1
InChIKey: LWHMKTKJVCNHSO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N3-O3

Molecular Weight

  • 297.312
 
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Names and Synonyms

Synonyms

  • 4-Nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)benzamide
  • 5-22-09-00471 (Beilstein Handbook Reference)
  • BRN 0434779

Systematic Name

  • Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-

Registry Numbers

CAS Registry Number

  • 36918-77-1

System Generated Number

  • 0036918771

Structure Descriptors

InChI

1S/C16H15N3O3/c20-16(12-5-7-13(8-6-12)19(21)22)18-15-14-4-2-1-3-11(14)9-10-17-15/h5-10H,1-4H2,(H,17,18,20)

InChIKey

LWHMKTKJVCNHSO-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)[N+](=O)[O-])(=O)Nc1nccc2CCCCc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 963, 1971.