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Substance Name: Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate
RN: 28740-96-7
InChIKey: LTWAWTQOZBNKNO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N3.2Cl-H.H2-O

Molecular Weight

  • 330.3005
 
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Names and Synonyms

  • Pyrrolo(3,2,1-jk)(1,4)benzodiazepine, 6-(3-(dimethylamino)propyl)-4,5,6,7-tetrahydro-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 28740-96-7

System Generated Number

  • 0028740967

Molecular Formulas

Molecular Formula

  • C16-H23-N3.2Cl-H.H2-O

Molecular Formula Fragments

  • C16-H23-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H23N3.2ClH/c1-17(2)8-4-9-18-11-12-19-10-7-14-5-3-6-15(13-18)16(14)19;;/h3,5-7,10H,4,8-9,11-13H2,1-2H3;2*1H

InChIKey

LTWAWTQOZBNKNO-UHFFFAOYSA-N

Smiles

Cl.Cl.CN(C)CCCN1CCn2ccc3cccc(C1)c23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 237mg/kg (237mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 827, 1970.