Atorvastatin Calcium Salt

Basic Information

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CAS Number

134523-03-8

Molecular Formula

C66H68CaF2N4O10

Molecular Weight

1157.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

164-180°C

Boiling Point

722.2ºC at 760 mmHg

Density

6.95X10-25 mm Hg at 25 deg C (est)

Flash Point

390.6°C

Solubility

DMSO: ≥10mg/mL

Specific Rotation

-5.4° - -9.4° (c=1, DMSO)

SMILES

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CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]

InChI

InChI=1S/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);/t2*26-,27-;/m11./s1

InChIKey

SSZRLAUYRCMGSP-MNSAWQCASA-N

LogP

12.246399999999985

Topological Polar Surface Area

223.57999999999998 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Complexity

817

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

ATORVASTATIN CALCIUM SALT ANHYDROUS [MI]
Atorvastatin calcium anhydorous
Atorvastan
CI-981
Rotacor
NSC 758617
NS00075355
Tox21_111685
Tulip
Tox21_302373
Ranbaxy's Storvas
YM 548
calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate}
DTXCID4024303
1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, CALCIUM SALT (2:1), (R-(R*,R*))-
SW219144-1
CAS-134523-03-8
Atorvastatin calcium salt trihydrate
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, calcium salt (2:1), (R-(R*,R*))-
ATORVASTATIN CALCIUM
Atorvastatin calcium anhydrous
ATORVASTATIN CALCIUM [WHO-DD]
D00887
Atorvastatin calcium hydrate
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-.beta.,delta.-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1),(.beta.R,.delta.R)-
CALCIUM (.BETA.R,.DELTA.R)-2-(P-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROLE-1-HEPTANOATE (1:2)
Lipibec
SCHEMBL3832
MFCD00899261
Atorvastatin calcium (anhydrous)
FQCKMBLVYCEXJB-MNSAWQCASA-L