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Substance Name: Isoalloxazine, 7-chloro-10-(2-(dimethylamino)ethyl)-, sulfate
RN: 101651-94-9
InChIKey: ZPQBSKATYITEBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl-N5-O2.H2-O4-S

Molecular Weight

  • 417.828
 
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Names and Synonyms

Synonym

  • 7-Chloro-10-(2-(dimethylamino)ethyl)isoalloxazine sulfate

Systematic Name

  • Isoalloxazine, 7-chloro-10-(2-(dimethylamino)ethyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 101651-94-9

System Generated Number

  • 0101651949

Molecular Formulas

Molecular Formula

  • C14-H14-Cl-N5-O2.H2-O4-S

Molecular Formula Fragments

  • C14-H14-Cl-N5-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C14H14ClN5O2.H2O4S/c1-19(2)5-6-20-10-4-3-8(15)7-9(10)16-11-12(20)17-14(22)18-13(11)21;1-5(2,3)4/h3-4,7H,5-6H2,1-2H3,(H,18,21,22);(H2,1,2,3,4)

InChIKey

ZPQBSKATYITEBC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 oral 1900mg/kg (1900mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 38mg/kg (38mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.