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Home> Encyclopedia > Hot Product Listed 5   > 5-Pyrimidineaceticacid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester
574705-92-3 structure

5-Pyrimidineaceticacid, 3,4-dihydro-2-methyl-4-oxo-, ethyl ester

Iupac Name:sodium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CAS No.:574705-92-3
Molecular Weight:443.45
Molecular Formula:C20H27NO3 (isomer)
Names and Identifiers
Synonyms

5-Pyrimidineacetic acid,4-hydroxy-2-methyl-, ethyl ester (8CI) 5-Pyrimidineaceticacid, 1,4-dihydro-2-methyl-4-oxo-, ethyl ester (9CI) AC1L6P47 AKOS024255910 DTXSID80304351 ethyl (2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetate ethyl 2-(2-methyl-4-oxo-3h-pyrimidin-5-yl)acetate ethyl 2-(2-methyl-6-oxo-1h-pyrimidin-5-yl)acetate ethyl 2-(4-hydroxy-2-methylpyrimidin-5-yl)acetate HE214567 MCULE-6514585596 NSC 165490 nsc165490 nsc-165490 SC-32448 SCHEMBL17971178 ZINC16998012

Inchi
InChI=1S/C25H24FNO4.Na/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;+1/p-1/b12-11+;/t18-,19-;/m1./s1
InChkey
NBDQGOCGYHMDSJ-NRFPMOEYSA-M
Canonical Smiles
C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Na+]
Properties
Boiling Point
473.8°Cat760mmHg
Flash Point
250.7°C
Computational chemical data
  • Molecular Weight:443.45g/mol
  • Molecular Formula:C20H27NO3
  • Compound Is Canonicalized:True
  • Exact Mass:443.151
  • Monoisotopic Mass:443.151
  • Complexity:637
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:93.5A^2
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB6OSAAAAAAAAAAAAAAGAAAAAAAAAA8YIAAAAAAAACx9AAAHwAACAAADRyhngowyPIIEgCo AyTyTACCgCAhAiAImCEwZJgINPbAkZGEcAhloADI2AeY7MROgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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