AG00368S

134523-03-8 | 1H-Pyrrole-1-heptanoicacid,2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,calciumsalt(2:1),(βR,δR)-

AG00368S

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	134523-03-8
Catalog Number	AG00368S(AGN-PC-0PKBY1)
Chemical Name	1H-Pyrrole-1-heptanoicacid,2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,calciumsalt(2:1),(βR,δR)-
IUPAC Name	calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
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);/q;;+2/p-2/t2*26-,27-;/m11./s1
InChI Key	FQCKMBLVYCEXJB-MNSAWQCASA-L
MDL Number	MFCD09752074
Molecular Formula	C66H68CaF2N4O10
Molecular Weight	1155.3417
SMILES	O=C([O-])C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC=C3)C(C(NC4=CC=CC=C4)=O)=C1C(C)C.O=C([O-])C[C@H](O)C[C@H](O)CCN5C(C6=CC=C(F)C=C6)=C(C7=CC=CC=C7)C(C(NC8=CC=CC=C8)=O)=C5C(C)C.[Ca+2]
UNII	C0GEJ5QCSO
Synonyms	(3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid, atorvastatin, atorvastatin calcium, atorvastatin calcium anhydrous, atorvastatin calcium hydrate, atorvastatin calcium trihydrate, atorvastatin, calcium salt, CI 981, CI-981, CI981, Lipitor, liptonorm, ATORVASTATIN CALCIUM, 134523-03-8, Lipitor, Sortis, Tahor, Atorvastatin hemicalcium salt, CI-981, Atorvastatin calcium salt, UNII-C0GEJ5QCSO, Torvast, C0GEJ5QCSO, DRG-0321, CI 981, YM 548, Atorvastatin Hemicalcium, PD 134298-38A, CHEBI:50686, Atorvastatin calcium [USAN], Liprimar, Tulip, calcium (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate, Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2), Lipitor (TN), DSSTox_CID_24303, DSSTox_RID_80143, DSSTox_GSID_44303, Rotacor, Storvas, CHEMBL393220, Ranbaxy's Storvas, 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*))-, 1H-Pyrrole-1-heptanoic acid, beta,delta-dihydroxy-2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, calcium salt (2:1), (R-(R*,R*))-, CAS-134523-03-8, MFCD00899261, NCGC00159458-03, Atorvastan, Atorvastatin calcium anhydrous, Kolevas, Lipibec, Prevencor, Atorvastatin calcium [USAN:USP], AK106989, calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate, AC1L1TZQ, calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate}, atorvastatin-calcium-lipitor, SCHEMBL3832, Atorvastatin calcium anhydorous, 2C33H34FN2O5.Ca, DTXSID6044303, AOB6343, SYN3020, FQCKMBLVYCEXJB-MNSAWQCASA-L, (C33H34FN2O5)2.Ca, ACT03226, KS-00000IS3, Tox21_111685, Tox21_302373, BDBM50442868, CA0146, YM-548, AKOS015896435, Tox21_111685_1, AM90286, AN-6412, AT-3134, GS-3563, VA10343, NCGC00159458-05, NCGC00255845-01, 4CA-0208, BC634906, SC-76963, LS-136974, TL8000809, FT-0081085, SW219144-1, D00887, I06-1867, J-006551, (|AR,|AR)-2-(4-Fluorophenyl)-|A,|A-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid Calcium Salt, (R,R)-2-(4-Fluorophenyl)-?,?-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemicalcium salt, [R-(R*, R*)]-2-(4-fluorophenyl)-(beta), (delta)-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid, calcium salt (2:1) trihydrate, [R-(R*, R*)]-2-(4-fluorophenyl)-beta-, delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid,calcium salt (2:1) trihydrate, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-,-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (R,R)-, 1H-Pyrrole-1-heptanoicacid,2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,calciumsalt(2:1),(betaR,deltaR)-, calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate, calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoate, calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate), atorvastatin, Caduet, Sotis, Mixture Name, Atorvastatin, (+/-)-, UNII-36TN91XZ0V, Atorvastatin Calcium (Amorphous), C33H35FN2O5, C66H70F2N4O10.Ca, CID60822, C33-H35-F-N2-O5, ACN-048272, C66-H70-F2-N4-O10.Ca, A4367, A11800, 134523-00-5, 110862-48-1, (1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (R*,R*)-,

Complexity	817
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	1154.453g/mol
Formal Charge	0
Heavy Atom Count	83
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	1155.363g/mol
Monoisotopic Mass	1154.453g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	229A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number