Atorvastatin Acetonide t-Butyl Ester (4S, 6R)-Isomer

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 Atorvastatin Acetonide t-Butyl Ester (4S, 6R)-Isomer

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-ZWXJPIIXSA-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

Approval Year

Name

Type

Language

Atorvastatin Acetonide t-Butyl Ester (4S, 6R)-Isomer

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, (4S,6R)-

Systematic Name

English

1,1-Dimethylethyl (4S,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

Systematic Name

English

10-trans-Atorvastatin Acetonide tert-Butyl Ester

Common Name

English

tert-butyl 2-((4S,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Systematic Name

English

Code System Code Type Description

PUBCHEM

46780496

Created by admin on Sat Dec 16 20:11:12 GMT 2023 , Edited by admin on Sat Dec 16 20:11:12 GMT 2023

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CAS

1105067-90-0

Created by admin on Sat Dec 16 20:11:12 GMT 2023 , Edited by admin on Sat Dec 16 20:11:12 GMT 2023

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FDA UNII

BF49AH4YC8

Created by admin on Sat Dec 16 20:11:12 GMT 2023 , Edited by admin on Sat Dec 16 20:11:12 GMT 2023

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SUBSTANCE RECORD


					BF49AH4YC8

Atorvastatin Acetonide t-Butyl Ester (4S, 6R)-Isomer