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Substance Name: IA 4 methanesulfonate
RN: 43047-59-2
InChIKey: XMBJPJHCAJZCLU-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C20-H22-Cl-N3-O-S.C-H4-O3-S

Molecular Weight

  • 484.038
 
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Names and Synonyms

Results Name

  • IA 4 methanesulfonate

Synonyms

  • IA 4
  • IA 4 methanesulfonate

Systematic Name

  • 2H-(1)-Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 43047-59-2

Related Registry Number

  • 24167-40-6 (Parent)

System Generated Number

  • 0043047592

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-N3-O-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H22-Cl-N3-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22ClN3OS.CH4O3S/c1-3-23(4-2)9-10-24-16-8-5-13(12-25)20-18(16)19(22-24)15-7-6-14(21)11-17(15)26-20;1-5(2,3)4/h5-8,11,25H,3-4,9-10,12H2,1-2H3;1H3,(H,2,3,4)

InChIKey

XMBJPJHCAJZCLU-UHFFFAOYSA-N

Smiles

c12c3c4c(cc(Cl)cc4)Sc1c(ccc2n(CC[NH+](CC)CC)n3)CO.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1560mg/kg (1560mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 186, Pg. 402, 1973.
mouse LD50 intravenous 131mg/kg (131mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 186, Pg. 402, 1973.
mouse LD50 subcutaneous > 2495mg/kg (2495mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 186, Pg. 402, 1973.