(R)-1-Phenylethanamine (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
Basic information
- CAS
147511-70-4- Standard SMILES
C[C@@H](N)c1ccccc1.O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1- InChIKey
NWJUCTSWJKMGJX-FLBGKGFLSA-N- Molecular formula
- C33H35FN2O4
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.25808576
Names & identifiers
- Preferred name
- (R)-1-Phenylethanamine (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
- IUPAC
- (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;(1R)-1-phenylethanamine
- English name
- (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]- 3,5-dihydrosy-6-heptane acid,
- Molecular formula
- C25H24FNO4.C8H11N
- Molecular weight
- 542.64
Names & synonyms
147511-70-4(R)-1-phenylethanamine (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoateRefChem:407130695-826-7Pitavastatin (+)-Phenylethylamine Salt(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;(1R)-1-phenylethanamine(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydrosy-6-heptane acid,(+)phenyl ethylamine(R)-1-phenylethan-1-amine (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoatePitavastatin Impurity N1(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptane acid (+)-phenylethylamine saltPitavastatin (+)-Phenylethylamine(1R)-1-phenylethan-1-amine; (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
Show more names
Pitavastatin methylbenzylaminePitavastatin Calcium Inter.Pivastatin (phenylethylamine salt)
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H373-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P314-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H302-H373-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P314-P501
Chemistry & industry
Applications
UsesPitavastatin (+)-Phenylethylamine Salt is a salt analog of Pitavastatin (CAT# P215580), which is a HMG-CoA reductase inhibitor useful in lowering cholesterol levels. Pitavastatin (+)-Phenylethylamine Salt can be used in the preparation of novel crystals of pitavastatin calcium for treatment of hypercholesterolemia, familial hypercholesterolemia, and atherosclerosis.
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Compound notes
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