Defluoro atorvastatin acetonide tert-butyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H48N2O5
Molecular Weight	636.8195
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Defluoro 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=CC=C4)C5=CC=CC=C5

InChI

InChIKey=UPDCRTVBGYCHGP-ROJLCIKYSA-N

InChI=1S/C40H48N2O5/c1-27(2)36-35(38(44)41-30-21-15-10-16-22-30)34(28-17-11-8-12-18-28)37(29-19-13-9-14-20-29)42(36)24-23-31-25-32(46-40(6,7)45-31)26-33(43)47-39(3,4)5/h8-22,27,31-32H,23-26H2,1-7H3,(H,41,44)/t31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H48N2O5
Molecular Weight	636.8195
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 `Wed Apr 02 18:45:42 GMT 2025` Edited by `admin` on `Wed Apr 02 18:45:42 GMT 2025`
Record UNII	5HS6549DN2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

Defluoro atorvastatin acetonide tert-butyl ester

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90675660

Created by admin on Wed Apr 02 18:45:42 GMT 2025 , Edited by admin on Wed Apr 02 18:45:42 GMT 2025

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PUBCHEM

46780575

Created by admin on Wed Apr 02 18:45:42 GMT 2025 , Edited by admin on Wed Apr 02 18:45:42 GMT 2025

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CAS

1105067-91-1

Created by admin on Wed Apr 02 18:45:42 GMT 2025 , Edited by admin on Wed Apr 02 18:45:42 GMT 2025

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FDA UNII

5HS6549DN2

Created by admin on Wed Apr 02 18:45:42 GMT 2025 , Edited by admin on Wed Apr 02 18:45:42 GMT 2025

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