Chemical Compound

Nafagrel

CAS Registry Number97901-21-8
Nafagrel chemical structure
Primary record

Nafagrel

CAS
97901-21-8
PubChem CID
65851
SMILES
C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O
Molecular Formula
C15H16N2O2
Molecular Weight
256.305
Exact Mass
256.1212
InChI
InChI=1S/C15H16N2O2/c18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17/h3-6,8,10-11H,1-2,7,9H2,(H,18,19)
InChIKey
VJJHOPPXRPHVCA-UHFFFAOYSA-N
LogP
2.3864
TPSA
55.12

Names and synonyms

  • Nafagrel
  • Nafagrelum
  • Nafagrel [INN]
  • Nafagrelum [INN-Latin]
  • nafagrel hydrochloride
  • 98PDQ9OL4V
  • UNII-98PDQ9OL4V
  • RefChem:164396
  • D0DT2P
  • SR 96325A
  • AC1L243N
  • orb1741282
  • SCHEMBL6570453
  • CHEMBL1189780
  • SR-96325
  • DP-1904
  • DTXSID70869308
  • 97901-21-8
  • C15H16N2O2
  • CID65851
  • C15-H16-N2-O2
  • DP 1904
  • J324.304D
  • LS-178360
  • Q27272136
  • (+-)-5,6,7,8-Tetrahydro-6-(imidazol-1-ylmethyl)-2-naphthoic acid
  • 6-(1-imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
  • 6-((1H-Imidazol-1-yl)methyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
  • 6-[(1H-Imidazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
  • 6-(1-imidazolylmethyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid