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Substance Name: Isoalloxazine, 6,7-dichloro-10-(3-(N-(2-hydroxyethyl)ethylamino)propyl)-, sulfate
RN: 101652-05-5
InChIKey: VYNIGNUGMQLRSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-Cl2-N5-O3.H2-O4-S

Molecular Weight

  • 510.353
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101652-05-5

System Generated Number

  • 0101652055

Molecular Formulas

Molecular Formula

  • C17-H19-Cl2-N5-O3.H2-O4-S

Molecular Formula Fragments

  • C17-H19-Cl2-N5-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C17H19Cl2N5O3.H2O4S/c1-2-23(8-9-25)6-3-7-24-11-5-4-10(18)12(19)13(11)20-14-15(24)21-17(27)22-16(14)26;1-5(2,3)4/h4-5,25H,2-3,6-9H2,1H3,(H,22,26,27);(H2,1,2,3,4)

InChIKey

VYNIGNUGMQLRSZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 38mg/kg (38mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.