DESFLUOROATORVASTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H36N2O5
Molecular Weight	540.6493
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](O)C[C@@H](O)CC(O)=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=SWFBJYRYCRZMSB-KAYWLYCHSA-N

InChI=1S/C33H36N2O5/c1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39/h3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39)/t26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H36N2O5
Molecular Weight	540.6493
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 `Mon Mar 31 21:25:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:25:02 GMT 2025`
Record UNII	831WX29C91
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-PYRROLE-1-HEPTANOIC ACID, .BETA.,.DELTA.-DIHYDROXY-2-(1-METHYLETHYL)-4,5-DIPHENYL-3-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-

Preferred Name

English

DESFLUOROATORVASTATIN

Common Name

English

ATORVASTATIN CALCIUM IMPURITY A [EP IMPURITY]

Common Name

English

Defluoroatorvastatin

Common Name

English

(3R,5R)-3,5-DIHYDROXY-7-(5-(1-METHYLETHYL)-2,3-DIPHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)HEPTANOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

433289-84-0

Created by admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025

PRIMARY

PUBCHEM

11191954

Created by admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025

PRIMARY

EPA CompTox

DTXSID80195827

Created by admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025

PRIMARY

FDA UNII

831WX29C91

Created by admin on Mon Mar 31 21:25:02 GMT 2025 , Edited by admin on Mon Mar 31 21:25:02 GMT 2025

PRIMARY

Related Record Type Details


					M5BL8F2YW6

Defluoro atorvastatin calcium

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					48A5M73Z4Q

ATORVASTATIN CALCIUM TRIHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: