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

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

Structure Search

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