Basic information
- Name:
Atorvastatin calcium
- CAS No.:
134523-03-8
- Molecular Structure:
- Formula:
- C66H68CaF2N4O10
- Molecular Weight:
- 1209.42 .
- Deleted CAS:
- 1108202-55-6|334757-04-9
- Synonyms:
- 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (betaR,deltaR)-rel-;Atorvastatin calcium [USAN];Lipitor (TN);Atorvastatin Calcium (amorphous);calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate;(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid;CI-981;(1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid;Atorvastatin (R*,R*);Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2);Atrovastatin;(3R,5R)-7-[2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-;
- Melting Point:
- 176-178 °C
- Boiling Point:
- 722.2 °C at 760 mmHg
- Flash Point:
- 390.6 °C
- Appearance:
- White Crystalline Powder
- Hazard Symbols:
Xn- Risk Codes:
- 20/21/22-36/37/38
- Safety Description:
- 26-36 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The Atorvastatin calcium, with the CAS registry number 134523-03-8, is also known as CI 981. It belongs to the product categories of Active Pharmaceutical Ingredients; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Atorvastatin. This chemical's molecular formula is C66H68CaF2N4O10 and molecular weight is 1155.341726. Its IUPAC name is called calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate. This chemical's classification codes are Antihyperlipidemic; Inhibitor [HMG-CoA reductase]; Reproductive Effect.
Physical properties of Atorvastatin calcium: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 30.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 166.79 ; (8)ACD/KOC (pH 7.4): 2.83; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 14; (12)Flash Point: 390.6 °C; (13)Enthalpy of Vaporization: 110.74 kJ/mol; (14)Boiling Point: 722.2 °C at 760 mmHg; (15)Vapour Pressue: 6.84E-22 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c(C(=O)Nc1ccccc1)c(c2ccccc2)c4c3ccc(F)cc3)C(C)C.[O-]C(=O)C[C@H](O)C[C@H](O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C
(2)InChI: InChI=1/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1
(3)InChIKey: FQCKMBLVYCEXJB-GMSHLEBUBW
