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Substance Name: Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
RN: 173284-33-8
InChIKey: KVJXYOGGHOMKFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N6-O-S

Molecular Weight

  • 398.5324
 
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Names and Synonyms

Synonym

  • 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-4,6-dimethyl-3-oxoisothiazolo(5,4-b)pyridine

Systematic Name

  • Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-

Registry Numbers

CAS Registry Number

  • 173284-33-8

System Generated Number

  • 0173284338

Structure Descriptors

InChI

1S/C20H26N6OS/c1-15-14-16(2)23-18-17(15)19(27)26(28-18)9-4-3-8-24-10-12-25(13-11-24)20-21-6-5-7-22-20/h5-7,14H,3-4,8-13H2,1-2H3

InChIKey

KVJXYOGGHOMKFS-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1c(=O)n(s2)CCCCN3CCN(CC3)c4ncccn4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 810mg/kg (810mg/kg)   Farmaco. Vol. 50, Pg. 769, 1995.