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Substance Name: Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)-, sulfate
RN: 101652-07-7
InChIKey: PYXBEZZMJJKCSX-UHFFFAOYSA-N

Molecular Formula

  • C16-H17-Cl2-N5-O3.H2-O4-S

Molecular Weight

  • 496.326
 
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Names and Synonyms

Synonym

  • 6,7-Dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)isoalloxazine sulfate

Systematic Name

  • Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)methylamino)propyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 101652-07-7

System Generated Number

  • 0101652077

Molecular Formulas

Molecular Formula

  • C16-H17-Cl2-N5-O3.H2-O4-S

Molecular Formula Fragments

  • C16-H17-Cl2-N5-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C16H17Cl2N5O3.H2O4S/c1-22(7-8-24)5-2-6-23-10-4-3-9(17)11(18)12(10)19-13-14(23)20-16(26)21-15(13)25;1-5(2,3)4/h3-4,24H,2,5-8H2,1H3,(H,21,25,26);(H2,1,2,3,4)

InChIKey

PYXBEZZMJJKCSX-UHFFFAOYSA-N

Smiles

n1(c2c(nc3c([nH]c(nc13)=O)=O)c(c(Cl)cc2)Cl)CCC[N@@H+](CCO)C.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 40mg/kg (40mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 intravenous 75mg/kg (75mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 97mg/kg (97mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 45mg/kg (45mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.