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Substance Name: Isoalloxazine, 7-chloro-10-(2-hydroxy-3-piperidinopropyl)-, sulfate
RN: 101652-00-0
InChIKey: CYZUIPUWEKTBMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-Cl-N5-O3.H2-O4-S

Molecular Weight

  • 487.919
 
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Names and Synonyms

Synonym

  • 7-Chloro-10-(2-hydroxy-3-piperidinopropyl)isoalloxazine sulfate

Systematic Name

  • Isoalloxazine, 7-chloro-10-(2-hydroxy-3-piperidinopropyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 101652-00-0

System Generated Number

  • 0101652000

Molecular Formulas

Molecular Formula

  • C18-H20-Cl-N5-O3.H2-O4-S

Molecular Formula Fragments

  • C18-H20-Cl-N5-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C18H20ClN5O3.H2O4S/c19-11-4-5-14-13(8-11)20-15-16(21-18(27)22-17(15)26)24(14)10-12(25)9-23-6-2-1-3-7-23;1-5(2,3)4/h4-5,8,12,25H,1-3,6-7,9-10H2,(H,22,26,27);(H2,1,2,3,4)

InChIKey

CYZUIPUWEKTBMK-UHFFFAOYSA-N

Smiles

n1(c2c(nc3cc(Cl)ccc13)c([nH]c(n2)=O)=O)C[C@@H](C[NH+]1CCCCC1)O.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 115mg/kg (115mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 60mg/kg (60mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 38mg/kg (38mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.