Difluoro Atorvastatin Acetonide tert-Butyl Ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H46F2N2O5
Molecular Weight	672.8004
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Difluoro Atorvastatin Acetonide tert-Butyl Ester

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=C(F)C=C5

InChI

InChIKey=FXOZEZIWLMWZMX-ROJLCIKYSA-N

InChI=1S/C40H46F2N2O5/c1-25(2)36-35(38(46)43-30-11-9-8-10-12-30)34(26-13-17-28(41)18-14-26)37(27-15-19-29(42)20-16-27)44(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32H,21-24H2,1-7H3,(H,43,46)/t31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H46F2N2O5
Molecular Weight	672.8004
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 20:11:11 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:11 GMT 2023`
Record UNII	KG8HN8E446
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Difluoro Atorvastatin Acetonide tert-Butyl Ester

Common Name

English

tert-Butyl (4R,6R)-6-[2-[2,3-Bis(4-fluorophenyl)-5-isopropyl-4-(phenylcarbamoyl)-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Systematic Name

English

(4R,6R)-6-[2-[2,3-bis(4-fluorophenyl)-5-(1-methylethyl)-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester

Systematic Name

English

1,3-Dioxane-4-acetic acid, 6-[2-[2,3-bis(4-fluorophenyl)-5-(1-methylethyl)-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

Systematic Name

English

1,1-Dimethylethyl (4R,6R)-6-[2-[2,3-bis(4-fluorophenyl)-5-(1-methylethyl)-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Systematic Name

English

Atorvastatin Impurity IV

Common Name

English

Code System Code Type Description

CAS

693793-87-2

Created by admin on Sat Dec 16 20:11:11 GMT 2023 , Edited by admin on Sat Dec 16 20:11:11 GMT 2023

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PUBCHEM

69891199

Created by admin on Sat Dec 16 20:11:11 GMT 2023 , Edited by admin on Sat Dec 16 20:11:11 GMT 2023

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FDA UNII

KG8HN8E446

Created by admin on Sat Dec 16 20:11:11 GMT 2023 , Edited by admin on Sat Dec 16 20:11:11 GMT 2023

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