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Substance Name: Isoalloxazine, 7-chloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate
RN: 101651-90-5
InChIKey: XUEIYTBYODJVMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-Cl-N5-O3.H2-O4-S

Molecular Weight

  • 475.908
 
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Names and Synonyms

Synonym

  • 7-Chloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazine sulfate

Systematic Name

  • Isoalloxazine, 7-chloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate

Registry Numbers

CAS Registry Number

  • 101651-90-5

System Generated Number

  • 0101651905

Molecular Formulas

Molecular Formula

  • C17-H20-Cl-N5-O3.H2-O4-S

Molecular Formula Fragments

  • C17-H20-Cl-N5-O3
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C17H20ClN5O3.H2O4S/c1-3-22(4-2)8-11(24)9-23-13-6-5-10(18)7-12(13)19-14-15(23)20-17(26)21-16(14)25;1-5(2,3)4/h5-7,11,24H,3-4,8-9H2,1-2H3,(H,21,25,26);(H2,1,2,3,4)

InChIKey

XUEIYTBYODJVMT-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 54mg/kg (54mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 intravenous 132mg/kg (132mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
mouse LD50 subcutaneous 48mg/kg (48mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.
rat LD50 intraperitoneal 50mg/kg (50mg/kg)   Chemotherapia. Vol. 2, Pg. 96, 1961.