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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H37FN2O5
Molecular Weight 572.6664
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-O-METHYLATORVASTATIN

SMILES

CO[C@H](C[C@H](O)CCN1C(C(C)C)=C(C(=O)NC2=CC=CC=C2)C(=C1C3=CC=C(F)C=C3)C4=CC=CC=C4)CC(O)=O

InChI

InChIKey=WXRUMNYOLOVRFD-VSGBNLITSA-N
InChI=1S/C34H37FN2O5/c1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(42-3)21-29(39)40/h4-17,22,27-28,38H,18-21H2,1-3H3,(H,36,41)(H,39,40)/t27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H37FN2O5
Molecular Weight 572.6664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:18:43 GMT 2023
Edited
by admin
on Sat Dec 16 05:18:43 GMT 2023
Record UNII
W4O2NOR8VV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-O-METHYLATORVASTATIN
Common Name English
ATORVASTATIN CALCIUM IMPURITY G [EP IMPURITY]
Common Name English
1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.DELTA.-HYDROXY-.BETA.-METHOXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-
Common Name English
(3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-5-HYDROXY-3-METHOXYHEPTANOIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40237277
Created by admin on Sat Dec 16 05:18:43 GMT 2023 , Edited by admin on Sat Dec 16 05:18:43 GMT 2023
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FDA UNII
W4O2NOR8VV
Created by admin on Sat Dec 16 05:18:43 GMT 2023 , Edited by admin on Sat Dec 16 05:18:43 GMT 2023
PRIMARY
CAS
887324-53-0
Created by admin on Sat Dec 16 05:18:43 GMT 2023 , Edited by admin on Sat Dec 16 05:18:43 GMT 2023
PRIMARY
PUBCHEM
53491800
Created by admin on Sat Dec 16 05:18:43 GMT 2023 , Edited by admin on Sat Dec 16 05:18:43 GMT 2023
PRIMARY