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Substance Name: 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-
RN: 105627-90-5
InChIKey: PDDYZDBYVDJCNL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-N3-O2-S

Molecular Weight

  • 305.4001
 
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Names and Synonyms

Synonyms

  • 1-(5-Isoquinolinesulfonyl)-3-methylhomopiperazine
  • Hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-1H-1,4-diazepine

Systematic Name

  • 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 105627-90-5

System Generated Number

  • 0105627905

Structure Descriptors

InChI

1S/C15H19N3O2S/c1-12-11-18(9-3-7-17-12)21(19,20)15-5-2-4-13-10-16-8-6-14(13)15/h2,4-6,8,10,12,17H,3,7,9,11H2,1H3

InChIKey

PDDYZDBYVDJCNL-UHFFFAOYSA-N

Smiles

CC1CN(CCCN1)S(=O)(=O)c2cccc3c2ccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 120mg/kg (120mg/kg)   United States Patent Document. Vol. #4678783,