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Substance Name: 1,2-Ethanediamine, N'-benz(cd)indol-2-yl-N,N-diethyl-, hydrochloride, hydrate (2:4:5)
RN: 102147-09-1
InChIKey: AVEUKDJYMLZGCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N3.2Cl-H.5/2H2-O

Molecular Weight

  • 770.6654
 
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Names and Synonyms

Synonym

  • N'-Benz(cd)indol-2-yl-N,N-diethyl-1,2-ethanediamine hydrochloride hydrate (2:4:5)

Systematic Name

  • 1,2-Ethanediamine, N'-benz(cd)indol-2-yl-N,N-diethyl-, hydrochloride, hydrate (2:4:5)

Registry Numbers

CAS Registry Number

  • 102147-09-1

System Generated Number

  • 0102147091

Molecular Formulas

Molecular Formula

  • C17-H21-N3.2Cl-H.5/2H2-O

Molecular Formula Fragments

  • C17-H21-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C17H21N3.4ClH.5H2O/c2*1-3-20(4-2)12-11-18-17-14-9-5-7-13-8-6-10-15(19-17)16(13)14;;;;;;;;;/h2*5-10H,3-4,11-12H2,1-2H3,(H,18,19);4*1H;5*1H2

InChIKey

AVEUKDJYMLZGCD-UHFFFAOYSA-N

Smiles

CCN(CC)CCNC1=Nc2cccc3c2c1ccc3.CCN(CC)CCNC1=Nc2cccc3c2c1ccc3.O.O.O.O.O.Cl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1888, 1985.