N-DEACETYL APREMILAST

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22N2O6S
Molecular Weight	418.463
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=C(OC)C=CC(=C1)[C@@H](CS(C)(=O)=O)N2C(=O)C3=CC=CC(N)=C3C2=O

InChI

InChIKey=BHJUWEUNUCJYER-OAHLLOKOSA-N

InChI=1S/C20H22N2O6S/c1-4-28-17-10-12(8-9-16(17)27-2)15(11-29(3,25)26)22-19(23)13-6-5-7-14(21)18(13)20(22)24/h5-10,15H,4,11,21H2,1-3H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H22N2O6S
Molecular Weight	418.463
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:46:54 GMT 2023` Edited by `admin` on `Sat Dec 16 09:46:54 GMT 2023`
Record UNII	FU766G6PHK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DEACETYL APREMILAST

Common Name

English

APREMILAST (M7)

Common Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 4-AMINO-2-((1S)-1-(3-ETHOXY-4-METHOXYPHENYL)-2-(METHYLSULFONYL)ETHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

66718706

Created by admin on Sat Dec 16 09:46:55 GMT 2023 , Edited by admin on Sat Dec 16 09:46:55 GMT 2023

PRIMARY

CAS

635705-72-5

Created by admin on Sat Dec 16 09:46:55 GMT 2023 , Edited by admin on Sat Dec 16 09:46:55 GMT 2023

PRIMARY

FDA UNII

FU766G6PHK

Created by admin on Sat Dec 16 09:46:55 GMT 2023 , Edited by admin on Sat Dec 16 09:46:55 GMT 2023

PRIMARY

Related Record Type Details


					UP7QBP99PN

APREMILAST

PARENT -> METABOLITE

Comments:

Metabolites M7 and M17,which were present at trace levels in plasma, did retain some PDE4 and TNF-.alpha. inhibition activity, with IC 50 values similar to those of apremilast.

Qualification:

FECAL