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Substance Name: Isoalloxazine, 7-chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)-, hydrochloride
RN: 101651-98-3
InChIKey: LPZMYCBJKTYZBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl-N5-O3.Cl-H

Molecular Weight

  • 414.291
 
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Names and Synonyms

Synonym

  • 7-Chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)isoalloxazine hydrochloride

Systematic Name

  • Isoalloxazine, 7-chloro-10-(3-(N-ethyl-N-(2-hydroxyethyl)amino)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 101651-98-3

System Generated Number

  • 0101651983

Molecular Formulas

Molecular Formula

  • C17-H20-Cl-N5-O3.Cl-H

Molecular Formula Fragments

  • C17-H20-Cl-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20ClN5O3.ClH/c1-2-22(8-9-24)6-3-7-23-13-5-4-11(18)10-12(13)19-14-15(23)20-17(26)21-16(14)25;/h4-5,10,24H,2-3,6-9H2,1H3,(H,21,25,26);1H

InChIKey

LPZMYCBJKTYZBK-UHFFFAOYSA-N

Smiles

c12n(c3c(cc(Cl)cc3)nc1c([nH]c(n2)=O)=O)CCC[N@@H+](CCO)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 90mg/kg (90mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 intravenous 60mg/kg (60mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 oral 5gm/kg (5000mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 145mg/kg (145mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 75mg/kg (75mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.