Pitavastatin calcium
Properties
- Molecular formula
- C50H46CaF2N2O8
- Molar mass
- 881.00 g/mol
- Exact mass
- 880.2848 Da
- logP
- 4.14Crippen estimate
- Polar surface area
- 90.7 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 8
- Stereocentres
- R, S, R, Sin SMILES atom order
- Double bonds
- E, EE/Z, in SMILES order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
147526-32-7SMILES
[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[O-]C(=O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 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
- Pitava 1
- Pitava
- Flovas
- Calcium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Work with Pitavastatin calcium
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Pitavastatin ethyl ester167073-19-071 % similar
Ethyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate172336-32-271 % similar
tert-Buthyl pitavastatin586966-54-370 % similar
Pitavastatin lactone141750-63-265 % similar
Ethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate148901-69-359 % similar
Rivastatin143201-11-054 % similar
Fluvastatin sodium93957-55-254 % similar
(2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal148901-68-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.