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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H33FN2O5
Molecular Weight 556.6239
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-HYDROXYATORVASTATIN LACTONE

SMILES

CC(C)C1=C(C(=O)NC2=C(O)C=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=MNECBMZJZFGTIK-JWQCQUIFSA-N
InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
O-HYDROXYATORVASTATIN LACTONE
Common Name English
O-HYDROXY ATORVASTATIN LACTONE
Common Name English
1H-PYRROLE-3-CARBOXAMIDE, 5-(4-FLUOROPHENYL)-N-(2-HYDROXYPHENYL)-2-(1-METHYLETHYL)-4-PHENYL-1-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-, (2R-TRANS)-
Common Name English
(2R-TRANS)-5-(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-N-(2-HYDROXYPHENYL)-4-PHENYL-1-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1H-PYRROLE-3-CARBOXAMIDE
Systematic Name English
ORTHOHYDROXYATORVASTATIN LACTONE
Common Name English
1H-PYRROLE-3-CARBOXAMIDE, 5-(4-FLUOROPHENYL)-N-(2-HYDROXYPHENYL)-2-(1-METHYLETHYL)-4-PHENYL-1-(2-((2R,4R)-TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-
Systematic Name English
2-HYDROXY ATORVASTATIN LACTONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50167536
Created by admin on Sat Dec 16 06:55:58 GMT 2023 , Edited by admin on Sat Dec 16 06:55:58 GMT 2023
PRIMARY
FDA UNII
N8OH05250C
Created by admin on Sat Dec 16 06:55:58 GMT 2023 , Edited by admin on Sat Dec 16 06:55:58 GMT 2023
PRIMARY
PUBCHEM
10650434
Created by admin on Sat Dec 16 06:55:58 GMT 2023 , Edited by admin on Sat Dec 16 06:55:58 GMT 2023
PRIMARY
CAS
163217-74-1
Created by admin on Sat Dec 16 06:55:58 GMT 2023 , Edited by admin on Sat Dec 16 06:55:58 GMT 2023
PRIMARY