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Substance Name: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 1,1-dioxide
RN: 145787-26-4
InChIKey: VPCTUIJYBSXDLY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4-O3-S

Molecular Weight

  • 414.5274
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 145787-26-4

System Generated Number

  • 0145787264

Structure Descriptors

InChI

1S/C21H26N4O3S/c1-16-15-17(2)22-20-19(16)21(26)25(29(20,27)28)10-6-9-23-11-13-24(14-12-23)18-7-4-3-5-8-18/h3-5,7-8,15H,6,9-14H2,1-2H3

InChIKey

VPCTUIJYBSXDLY-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1C(=O)N(S2(=O)=O)CCCN3CCN(CC3)c4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 48, Pg. 19, 1991.
mouse LD50 oral 611mg/kg (611mg/kg)   Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 48, Pg. 19, 1991.