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Substance Name: Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate
RN: 101651-88-1
InChIKey: JOVPXVSWLLIEKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl-N5-O4.H2-O4-S

Molecular Weight

  • 491.907
 
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Names and Synonyms

Synonym

  • 10-(3-(Bis(2-hydroxyethyl)amino)propyl)-7-chloroisoalloxazine sulfate

Systematic Name

  • Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 101651-88-1

System Generated Number

  • 0101651881

Molecular Formulas

Molecular Formula

  • C17-H20-Cl-N5-O4.H2-O4-S

Molecular Formula Fragments

  • C17-H20-Cl-N5-O4
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C17H20ClN5O4.H2O4S/c18-11-2-3-13-12(10-11)19-14-15(20-17(27)21-16(14)26)23(13)5-1-4-22(6-8-24)7-9-25;1-5(2,3)4/h2-3,10,24-25H,1,4-9H2,(H,21,26,27);(H2,1,2,3,4)

InChIKey

JOVPXVSWLLIEKQ-UHFFFAOYSA-N

Smiles

c12n(c3c(cc(Cl)cc3)nc1c([nH]c(n2)=O)=O)CCC[NH+](CCO)CCO.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67mg/kg (67mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 80mg/kg (80mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.