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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28N2O13S
Molecular Weight 608.571
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEETHYL APREMILAST-O-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(C=C1)[C@@H](CS(C)(=O)=O)N3C(=O)C4=C(C3=O)C(NC(C)=O)=CC=C4

InChI

InChIKey=IHODEIGSZXAFEQ-YIKHYSHPSA-N
InChI=1S/C26H28N2O13S/c1-11(29)27-14-6-4-5-13-18(14)24(34)28(23(13)33)15(10-42(3,37)38)12-7-8-16(39-2)17(9-12)40-26-21(32)19(30)20(31)22(41-26)25(35)36/h4-9,15,19-22,26,30-32H,10H2,1-3H3,(H,27,29)(H,35,36)/t15-,19+,20+,21-,22+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H28N2O13S
Molecular Weight 608.571
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 15:12:58 UTC 2018
Edited
by admin
on Tue Mar 06 15:12:58 UTC 2018
Record UNII
98S95XY31M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEETHYL APREMILAST-O-GLUCURONIDE
Common Name English
APREMILAST (M13)
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((1S)-1-(4-(ACETYLAMINO)-1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-2-(METHYLSULFONYL)ETHYL)-2-METHOXYPHENYL
Systematic Name English
Code System Code Type Description
CAS
1384814-91-8
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
57524487
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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