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Substance Name: 4'-O-Demethyl istradefylline
RN: 160434-48-0
UNII: I2P9NA76OG
InChIKey: OHGCYFOMTIEDMR-CSKARUKUSA-N

Molecular Formula

  • C19-H22-N4-O4

Molecular Weight

  • 370.4024
 
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Names and Synonyms

Name of Substance

  • 4'-O-Demethyl istradefylline

Synonyms

  • 1,3-Diethyl-8-((E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl)-7-methyl-purine-2,6-dione
  • 1H-Purine-2,6-dione, 1,3-diethyl-3,7-dihydro-8-(2-(4-hydroxy-3-methoxyphenyl)ethenyl)-7-methyl-, (E)-
  • 4'-O-Demethyl istradefylline
  • Istradefylline metabolite M1
  • UNII-I2P9NA76OG

Registry Numbers

CAS Registry Number

  • 160434-48-0

FDA UNII

  • I2P9NA76OG

System Generated Number

  • 0160434480

Structure Descriptors

InChI

1S/C19H22N4O4/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)15(20-17)10-8-12-7-9-13(24)14(11-12)27-4/h7-11,24H,5-6H2,1-4H3/b10-8+

InChIKey

OHGCYFOMTIEDMR-CSKARUKUSA-N

Smiles

CCN1C(=O)N(CC)c2nc(\C=C\c3ccc(O)c(OC)c3)n(C)c2C1=O