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Substance Name: 3,4-Dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid
RN: 140926-49-4
InChIKey: VHPPSROXTVQXDZ-UHFFFAOYSA-N

Molecular Formula

  • C19-H16-F3-N3-O3-S

Molecular Weight

  • 423.413
 
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Names and Synonyms

Name of Substance

  • 3,4-Dihydro-4-oxo-5,6-cyclohexano-3-((5-(trifluoromethyl)benzothiazol-2-yl)methyl)-1-pyridazineacetic acid

Synonym

  • Dhocf3BTPA

Systematic Name

  • 1-Phthalazineacetic acid, 3,4,5,6,7,8-hexahydro-4-oxo-3-((5-(trifluoromethyl)-2-benzothiazolyl)methyl)-

Registry Numbers

CAS Registry Number

  • 140926-49-4

System Generated Number

  • 0140926494

Structure Descriptors

InChI

1S/C19H16F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h5-7H,1-4,8-9H2,(H,26,27)

InChIKey

VHPPSROXTVQXDZ-UHFFFAOYSA-N

Smiles

c1(nn(c(c2CCCCc12)=O)Cc1sc2c(n1)cc(cc2)C(F)(F)F)CC(=O)O