ATORVASTATIN ACETONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H39FN2O5
Molecular Weight	598.7037
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H]3C[C@H](CC(O)=O)OC(C)(C)O3)C4=CC=C(F)C=C4)C5=CC=CC=C5

InChI

InChIKey=YFMKJVDVNPLQFO-FQLXRVMXSA-N

InChI=1S/C36H39FN2O5/c1-23(2)33-32(35(42)38-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(25-15-17-26(37)18-16-25)39(33)20-19-28-21-29(22-30(40)41)44-36(3,4)43-28/h5-18,23,28-29H,19-22H2,1-4H3,(H,38,42)(H,40,41)/t28-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H39FN2O5
Molecular Weight	598.7037
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 18:35:12 UTC 2023` Edited by `admin` on `Sat Dec 16 18:35:12 UTC 2023`
Record UNII	4P52UK6TGT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATORVASTATIN ACETONIDE

Common Name

English

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)ACETIC ACID

Systematic Name

English

ATORVASTATIN CALCIUM IMPURITY P [EP IMPURITY]

Common Name

English

Lipitor acetonide

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-, (4R,6R)-

Systematic Name

English

[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70450295

Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023

PRIMARY

FDA UNII

4P52UK6TGT

Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023

PRIMARY

CAS

581772-29-4

Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023

PRIMARY

PUBCHEM

10974031

Created by admin on Sat Dec 16 18:35:13 UTC 2023 , Edited by admin on Sat Dec 16 18:35:13 UTC 2023

PRIMARY

PUBCHEM

Related Record Type Details


					48A5M73Z4Q

ATORVASTATIN CALCIUM TRIHYDRATE

PARENT -> IMPURITY

Amount: