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Substance Name: Pyrrolidine, 1-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-2-thioxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)-
RN: 109493-32-5
InChIKey: AQPOACVLYRWBOW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N4-O2-S

Molecular Weight

  • 394.4968
 
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Names and Synonyms

  • Pyrrolidine, 1-((1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-2-thioxopyrido(2,3-d)pyrimidin-6-yl)carbonyl)-

Registry Numbers

CAS Registry Number

  • 109493-32-5

System Generated Number

  • 0109493325

Structure Descriptors

InChI

1S/C21H22N4O2S/c1-14-16(20(27)24-10-6-7-11-24)12-17-18(22-14)25(21(28)23(2)19(17)26)13-15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3

InChIKey

AQPOACVLYRWBOW-UHFFFAOYSA-N

Smiles

Cc1c(cc2c(n1)n(c(=S)n(c2=O)C)Cc3ccccc3)C(=O)N4CCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Farmaco, Edizione Scientifica. Vol. 41, Pg. 954, 1986.