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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

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
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Tue Mar 06 15:12:58 UTC 2018
Edited
by admin
on Tue Mar 06 15:12:58 UTC 2018
Record UNII
MZP23HH05I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL-N-DEACETYL APREMILAST-O-GLUCURONIDE
Common 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
APREMILAST (M14)
Common Name English
Code System Code Type Description
CAS
1384814-90-7
Created by admin on Tue Mar 06 15:12:58 UTC 2018 , Edited by admin on Tue Mar 06 15:12:58 UTC 2018
PRIMARY
PUBCHEM
57524405
Created by admin on Tue Mar 06 15:12:58 UTC 2018 , Edited by admin on Tue Mar 06 15:12:58 UTC 2018
PRIMARY SWITZERF
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