CAS Registry Number®
147526-32-7
CAS Name
Pitavastatin calcium
Molecular Formula
C25H24FNO4.1/2Ca
Compound Properties
-
Melting Point (1)
214 °C (decomp)
Source(s)
- (1) Xiong, Fangjun; Organic & Biomolecular Chemistry, (2015), 13(38), 9813-9819, CAplus
Other Names and Identifiers
InChI
InChI=1S/C25H24FNO4.Ca/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);/b12-11+;/t18-,19-;/m1./s1
InChIKey
InChIKey=AMUDYCAFPCQTAZ-NRFPMOEYSA-N
SMILES
C(=C/[C@H](C[C@H](CC(O)=O)O)O)\C1=C(C2=C(N=C1C3CC3)C=CC=C2)C4=CC=C(F)C=C4.[Ca]
Canonical SMILES
[Ca].O=C(O)CC(O)CC(O)C=CC=1C(=NC=2C=CC=CC2C1C=3C=CC(F)=CC3)C4CC4
Other Names for this Substance
- 6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-
- 6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, calcium salt (2:1), [S-[R*,S*-(E)]]-
- NK 104
- NK 104 (acid)
- Pitavastatin hemicalcium
- (E)-(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid hemicalcium salt
- Livalo
- Pitavastatin calcium
- Pitava 1
- Pitava
- Flovas
- Calcium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Deleted or Replaced CAS Registry Numbers
1187847-92-2, 1316291-17-4
