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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30N2O13S
Molecular Weight 622.598
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHYL APREMILAST 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(NC(C)=O)=C4C3=O

InChI

InChIKey=FEVPQGVGJIHPEA-RWIDXYMRSA-N
InChI=1S/C27H30N2O13S/c1-4-40-18-10-13(8-9-17(18)41-27-22(33)20(31)21(32)23(42-27)26(36)37)16(11-43(3,38)39)29-24(34)14-6-5-7-15(28-12(2)30)19(14)25(29)35/h5-10,16,20-23,27,31-33H,4,11H2,1-3H3,(H,28,30)(H,36,37)/t16-,20+,21+,22-,23+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H30N2O13S
Molecular Weight 622.598
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 15:12:57 UTC 2018
Edited
by admin
on Tue Mar 06 15:12:57 UTC 2018
Record UNII
W5MD5CX5XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHYL APREMILAST GLUCURONIDE
Common Name English
APREMILAST (M12)
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((1S)-1-(4-(ACETYLAMINO)-1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-2-(METHYLSULFONYL)ETHYL)-2-ETHOXYPHENYL
Systematic Name English
Code System Code Type Description
CAS
1384814-89-4
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
57524484
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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