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Details

Stereochemistry ACHIRAL
Molecular Formula C33H33FN2O4
Molecular Weight 540.6245
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E,5S)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)-5-HYDROXY-2-HEPTENOIC ACID

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C\C=C\C(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=MBPXXTUUUBBIRF-LQYYAUOTSA-N
InChI=1S/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19,22,27,37H,14,20-21H2,1-2H3,(H,35,40)(H,38,39)/b15-9+/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H33FN2O4
Molecular Weight 540.6245
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:58 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:58 GMT 2023
Record UNII
8CCX4AU9T3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2E,5S)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)-5-HYDROXY-2-HEPTENOIC ACID
Systematic Name English
ATORVASTATIN CALCIUM IMPURITY J [EP IMPURITY]
Common Name English
(S,E)-7-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-5-HYDROXYHEPT-2-ENOIC ACID
Systematic Name English
ATORVASTATIN ENE-ACID
Common Name English
2-HEPTENOIC ACID, 7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)-5-HYDROXY-, (2E,5S)-
Systematic Name English
ATORVASTATIN 3-DEOXYHEPT-2-ENOIC ACID
Common Name English
Code System Code Type Description
CAS
1105067-93-3
Created by admin on Sat Dec 16 11:16:58 GMT 2023 , Edited by admin on Sat Dec 16 11:16:58 GMT 2023
PRIMARY
FDA UNII
8CCX4AU9T3
Created by admin on Sat Dec 16 11:16:58 GMT 2023 , Edited by admin on Sat Dec 16 11:16:58 GMT 2023
PRIMARY
RS_ITEM_NUM
1A00760
Created by admin on Sat Dec 16 11:16:58 GMT 2023 , Edited by admin on Sat Dec 16 11:16:58 GMT 2023
PRIMARY
PUBCHEM
71315295
Created by admin on Sat Dec 16 11:16:58 GMT 2023 , Edited by admin on Sat Dec 16 11:16:58 GMT 2023
PRIMARY
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