U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H33FN2O4
Molecular Weight 540.6245
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATORVASTATIN LACTONE

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H]3C[C@@H](O)CC(=O)O3)C4=CC=C(F)C=C4)C5=CC=CC=C5

InChI

InChIKey=OUCSEDFVYPBLLF-KAYWLYCHSA-N
InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)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)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibitors of cholesterol biosynthesis. 3. Tetrahydro-4-hydroxy-6-[2-(1H-pyrrol-1-yl)ethyl]-2H-pyran-2-one inhibitors of HMG-CoA reductase. 2. Effects of introducing substituents at positions three and four of the pyrrole nucleus.
1991 Jan
Evaluation of the anti-HIV activity of statins.
2005 Oct 14
Patents
Name Type Language
ATORVASTATIN LACTONE
MI  
Common Name English
ATORVASTATIN CALCIUM IMPURITY H [EP IMPURITY]
Common Name English
1H-PYRROLE-3-CARBOXAMIDE, 5-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-N,4-DIPHENYL-1-(2-((2R,4R)-TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-
Systematic Name English
ATORVASTATIN RELATED COMPOUND H [USP IMPURITY]
Common Name English
ATORVASTATIN RELATED COMPOUND H [USP-RS]
Common Name English
(+)-ATORVASTATIN LACTONE
Common Name English
ATORVASTATIN .DELTA.-LACTONE
Common Name English
1H-PYRROLE-3-CARBOXAMIDE, 5-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-N,4-DIPHENYL-1-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-, (2R-TRANS)-
Common Name English
5-(4-FLUOROPHENYL)-1-(2-((2R,4R)-4-HYDROXY-6-OXOTETRAHYDROPYRAN-2-YL)ETHYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID PHENYLAMIDE
Systematic Name English
ATORVASTATIN LACTONE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
6483036
Created by admin on Sat Dec 16 06:08:04 GMT 2023 , Edited by admin on Sat Dec 16 06:08:04 GMT 2023
PRIMARY
FDA UNII
7876IL7J2N
Created by admin on Sat Dec 16 06:08:04 GMT 2023 , Edited by admin on Sat Dec 16 06:08:04 GMT 2023
PRIMARY
RS_ITEM_NUM
1044582
Created by admin on Sat Dec 16 06:08:04 GMT 2023 , Edited by admin on Sat Dec 16 06:08:04 GMT 2023
PRIMARY
CAS
125995-03-1
Created by admin on Sat Dec 16 06:08:04 GMT 2023 , Edited by admin on Sat Dec 16 06:08:04 GMT 2023
PRIMARY
MERCK INDEX
m2125
Created by admin on Sat Dec 16 06:08:04 GMT 2023 , Edited by admin on Sat Dec 16 06:08:04 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID90155033
Created by admin on Sat Dec 16 06:08:04 GMT 2023 , Edited by admin on Sat Dec 16 06:08:04 GMT 2023
PRIMARY