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Substance Name: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, 1,1-dioxide
RN: 145787-27-5
InChIKey: JMZZPFUPPMMLQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N5-O3-S

Molecular Weight

  • 415.5155
 
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Names and Synonyms

  • Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 145787-27-5

System Generated Number

  • 0145787275

Structure Descriptors

InChI

1S/C20H25N5O3S/c1-15-14-16(2)22-19-18(15)20(26)25(29(19,27)28)9-5-8-23-10-12-24(13-11-23)17-6-3-4-7-21-17/h3-4,6-7,14H,5,8-13H2,1-2H3

InChIKey

JMZZPFUPPMMLQJ-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1C(=O)N(S2(=O)=O)CCCN3CCN(CC3)c4ccccn4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 254mg/kg (254mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 48, Pg. 19, 1991.
mouse LD50 oral 252mg/kg (252mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 48, Pg. 19, 1991.