O-DEMETHYL-N-DEACETYL APREMILAST-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28N2O12S
Molecular Weight	580.561
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-DEMETHYL-N-DEACETYL APREMILAST-O-GLUCURONIDE

Structure Search

SMILES

CCOC1=CC(=CC=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](CS(C)(=O)=O)N3C(=O)C4=CC=CC(N)=C4C3=O

InChI

InChIKey=VHHPTHASTVQNBL-SNMZJJBTSA-N

InChI=1S/C25H28N2O12S/c1-3-37-16-9-11(7-8-15(16)38-25-20(30)18(28)19(29)21(39-25)24(33)34)14(10-40(2,35)36)27-22(31)12-5-4-6-13(26)17(12)23(27)32/h4-9,14,18-21,25,28-30H,3,10,26H2,1-2H3,(H,33,34)/t14-,18+,19+,20-,21+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H28N2O12S
Molecular Weight	580.561
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:18 GMT 2025`
Record UNII	MZP23HH05I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DEMETHYL-N-DEACETYL APREMILAST-O-GLUCURONIDE

Common Name

English

APREMILAST (M14)

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S)-1-(4-AMINO-1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-2-(METHYLSULFONYL)ETHYL)-2-ETHOXYPHENYL

Systematic Name

English

Code System Code Type Description

FDA UNII

MZP23HH05I

Created by admin on Mon Mar 31 22:56:18 GMT 2025 , Edited by admin on Mon Mar 31 22:56:18 GMT 2025

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CAS

1384814-90-7

Created by admin on Mon Mar 31 22:56:18 GMT 2025 , Edited by admin on Mon Mar 31 22:56:18 GMT 2025

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PUBCHEM

57524405

Created by admin on Mon Mar 31 22:56:18 GMT 2025 , Edited by admin on Mon Mar 31 22:56:18 GMT 2025

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APREMILAST

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