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Substance Name: Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate
RN: 101651-96-1
InChIKey: CKNQJRCNEDWFEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-Cl-N5-O2.H2-O4-S

Molecular Weight

  • 459.909
 
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Names and Synonyms

Synonym

  • 7-Chloro-10-(4-(dimethylamino)-1-methylbutyl)isoalloxazine sulfate

Systematic Name

  • Isoalloxazine, 7-chloro-10-(4-(dimethylamino)-1-methylbutyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 101651-96-1

System Generated Number

  • 0101651961

Molecular Formulas

Molecular Formula

  • C19-H24-Cl-N5-O2.H2-O4-S

Molecular Formula Fragments

  • C19-H24-Cl-N5-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C17H20ClN5O2.H2O4S/c1-10(5-4-8-22(2)3)23-13-7-6-11(18)9-12(13)19-14-15(23)20-17(25)21-16(14)24;1-5(2,3)4/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24,25);(H2,1,2,3,4)

InChIKey

CKNQJRCNEDWFEE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 120mg/kg (120mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 55mg/kg (55mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.