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Substance Name: Pitavastatin calcium hydrate [JAN]
RN: 1852536-33-4
UNII: GMK323785E
InChIKey: NDBJDUMINXAFLN-VKBJLXQDSA-L

Molecular Formula

  • 2C25-H23-F-N-O4.Ca.5H2-O

Molecular Weight

  • 971.0674
 
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Names and Synonyms

Results Name

  • Pitavastatin calcium hydrate [JAN]

Name of Substance

  • Pitavastatin calcium pentahydrate

Synonyms

  • 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt, (3R,5S,6E)-, hydrate (2:1:5)
  • Pitavastatin calcium hydrate
  • Pitavastatin calcium hydrate [JAN]
  • Pitavastatin calcium pentahydrate
  • UNII-GMK323785E

Registry Numbers

CAS Registry Number

  • 1852536-33-4

FDA UNII

  • GMK323785E

System Generated Number

  • 1852536334

Structure Descriptors

InChI

1S/2C25H24FNO4.Ca.5H2O/c2*26-17-9-7-15(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;;;;;;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);;5*1H2/q;;+2;;;;;/p-2/b2*12-11+;;;;;;/t2*18-,19-;;;;;;/m11....../s1

InChIKey

NDBJDUMINXAFLN-VKBJLXQDSA-L

Smiles

O.O.O.O.O.[Ca+2].O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)[O-].O[C@H](C[C@H](O)\C=C\c5c(nc6ccccc6c5c7ccc(F)cc7)C8CC8)CC(=O)[O-]