Atorvastatin Di-acetonide tert-Butyl Ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H64FN3O8
Molecular Weight	854.0569
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Atorvastatin Di-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)NCC[C@@H]4C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O4)OC(C)(C)O3)C5=CC=C(F)C=C5)C6=CC=CC=C6

InChI

InChIKey=QALXDCUXGCUEBT-JUFVCXMFSA-N

InChI=1S/C50H64FN3O8/c1-32(2)45-44(47(57)53-36-18-14-11-15-19-36)43(33-16-12-10-13-17-33)46(34-20-22-35(51)23-21-34)54(45)27-25-38-29-39(60-50(8,9)59-38)30-41(55)52-26-24-37-28-40(61-49(6,7)58-37)31-42(56)62-48(3,4)5/h10-23,32,37-40H,24-31H2,1-9H3,(H,52,55)(H,53,57)/t37-,38-,39-,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H64FN3O8
Molecular Weight	854.0569
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:11:51 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:51 GMT 2023`
Record UNII	XED67UN7WL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Atorvastatin Di-acetonide tert-Butyl Ester

Common Name

English

1,1-Dimethylethyl (4R,6R)-6-[2-[[2-[(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-dioxan-4-yl]acetyl]amino]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Systematic Name

English

1,3-Dioxane-4-acetic acid, 6-[2-[[2-[(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-dioxan-4-yl]acetyl]amino]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

Systematic Name

English

tert-butyl 2-((4R,6R)-6-(2-(2-((4R,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)acetamido)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Systematic Name

English

Code System Code Type Description

FDA UNII

XED67UN7WL

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

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PUBCHEM

25190346

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

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CAS

1116118-82-1

Created by admin on Sat Dec 16 20:11:51 GMT 2023 , Edited by admin on Sat Dec 16 20:11:51 GMT 2023

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