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Substance Name: Benzenesulfonic acid, 4-(4-phenyl-1,4-dihydropyrimido(1,2-a)benzimidazol-2-yl)-, 2,2,3,3-tetrafluoropropyl ester
RN: 169132-76-7
InChIKey: PBLKVXUHCMJBKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H19-F4-N3-O3-S

Molecular Weight

  • 517.5011
 
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Names and Synonyms

  • Benzenesulfonic acid, 4-(4-phenyl-1,4-dihydropyrimido(1,2-a)benzimidazol-2-yl)-, 2,2,3,3-tetrafluoropropyl ester

Registry Numbers

CAS Registry Number

  • 169132-76-7

System Generated Number

  • 0169132767

Structure Descriptors

InChI

1S/C25H19F4N3O3S/c26-23(27)25(28,29)15-35-36(33,34)18-12-10-16(11-13-18)20-14-22(17-6-2-1-3-7-17)32-21-9-5-4-8-19(21)30-24(32)31-20/h1-14,22-23H,15H2,(H,30,31)

InChIKey

PBLKVXUHCMJBKT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2C=C(Nc3n2c4ccccc4n3)c5ccc(cc5)S(=O)(=O)OCC(C(F)F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1460mg/kg (1460mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 92, 1994.