N-Desacetyl-N-formylApremilast

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22N2O7S
Molecular Weight	446.474
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Desacetyl-N-formylApremilast

Structure Search

SMILES

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

InChI

InChIKey=BACMGNDDEKLFKB-MRXNPFEDSA-N

InChI=1S/C21H22N2O7S/c1-4-30-18-10-13(8-9-17(18)29-2)16(11-31(3,27)28)23-20(25)14-6-5-7-15(22-12-24)19(14)21(23)26/h5-10,12,16H,4,11H2,1-3H3,(H,22,24)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22N2O7S
Molecular Weight	446.474
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:33 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:33 GMT 2023`
Record UNII	M9ZPE24E9Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Desacetyl-N-formylApremilast

Common Name

English

N-[2-[(1S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]formamide

Systematic Name

English

Formamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

M9ZPE24E9Q

Created by admin on Sat Dec 16 19:56:33 GMT 2023 , Edited by admin on Sat Dec 16 19:56:33 GMT 2023

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CAS

2077897-94-8

Created by admin on Sat Dec 16 19:56:33 GMT 2023 , Edited by admin on Sat Dec 16 19:56:33 GMT 2023

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