EPLERENONE 7-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28O6
Molecular Weight	400.4648
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EPLERENONE 7-CARBOXYLIC ACID

Structure Search

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@@H](CC6=CC(=O)CC[C@]6(C)[C@@]15O2)C(O)=O

InChI

InChIKey=FLTCRAGDAAVKPG-ALROZPJCSA-N

InChI=1S/C23H28O6/c1-20-6-3-13(24)9-12(20)10-14(19(26)27)18-15-4-7-22(8-5-17(25)29-22)21(15,2)11-16-23(18,20)28-16/h9,14-16,18H,3-8,10-11H2,1-2H3,(H,26,27)/t14-,15+,16-,18+,20+,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H28O6
Molecular Weight	400.4648
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:58 GMT 2023` Edited by `admin` on `Fri Dec 15 15:47:58 GMT 2023`
Record UNII	082VBP8OQR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPLERENONE 7-CARBOXYLIC ACID

Common Name

English

EPLERENONE IMPURITY D [EP IMPURITY]

Common Name

English

PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

58700874

Created by admin on Fri Dec 15 15:47:58 GMT 2023 , Edited by admin on Fri Dec 15 15:47:58 GMT 2023

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FDA UNII

082VBP8OQR

Created by admin on Fri Dec 15 15:47:58 GMT 2023 , Edited by admin on Fri Dec 15 15:47:58 GMT 2023

PRIMARY

CAS

209253-82-7

Created by admin on Fri Dec 15 15:47:58 GMT 2023 , Edited by admin on Fri Dec 15 15:47:58 GMT 2023

PRIMARY

Related Record Type Details


					6995V82D0B

EPLERENONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: