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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H47FN2O5
Molecular Weight 654.81
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-DIMETHYLETHYL (4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE

SMILES

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

InChI

InChIKey=NPPZOMYSGNZDKY-ROJLCIKYSA-N
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H47FN2O5
Molecular Weight 654.81
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 Fri Dec 15 15:50:07 GMT 2023
Edited
by admin
on Fri Dec 15 15:50:07 GMT 2023
Record UNII
0PTA8HGH1F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-DIMETHYLETHYL (4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE
Common Name English
TERT-BUTYL ((4R,6R)-6-(2-(3-(ANILINOCARBONYL)-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
Common Name English
ATORVASTATIN RELATED COMPOUND I [USP-RS]
Common Name English
ATORVASTATIN CALCIUM IMPURITY I [EP IMPURITY]
Common Name English
TERT-BUTYL ((4R,6R)-6-(2-(3-(ANILINOCARBONYL)-5-(4-FLUOROPHENYL)-2-ISOPROPYL-4-PHENYL-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE, (+)-
Common Name English
1,3-DIOXANE-4-ACETIC ACID, 6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER, (4R,6R)-
Common Name English
ATORVASTATIN RELATED COMPOUND I [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1044593
Created by admin on Fri Dec 15 15:50:07 GMT 2023 , Edited by admin on Fri Dec 15 15:50:07 GMT 2023
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CAS
125971-95-1
Created by admin on Fri Dec 15 15:50:07 GMT 2023 , Edited by admin on Fri Dec 15 15:50:07 GMT 2023
PRIMARY
FDA UNII
0PTA8HGH1F
Created by admin on Fri Dec 15 15:50:07 GMT 2023 , Edited by admin on Fri Dec 15 15:50:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID70436296
Created by admin on Fri Dec 15 15:50:07 GMT 2023 , Edited by admin on Fri Dec 15 15:50:07 GMT 2023
PRIMARY
PUBCHEM
10168503
Created by admin on Fri Dec 15 15:50:07 GMT 2023 , Edited by admin on Fri Dec 15 15:50:07 GMT 2023
PRIMARY