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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H28FNO5
Molecular Weight 501.5454
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Xelaglifam

SMILES

CC#C[C@@H](CC(O)=O)C1=CC=C(O[C@@H]2CCC3=C(C=CC(F)=C23)C4=CN=C(O[C@@H]5CCOC5)C=C4)C=C1

InChI

InChIKey=IJUWQJZOUDTENA-HRRBBWQUSA-N
InChI=1S/C30H28FNO5/c1-2-3-20(16-29(33)34)19-4-7-22(8-5-19)36-27-12-10-25-24(9-11-26(31)30(25)27)21-6-13-28(32-17-21)37-23-14-15-35-18-23/h4-9,11,13,17,20,23,27H,10,12,14-16,18H2,1H3,(H,33,34)/t20-,23+,27+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Xelaglifam
INN  
Official Name English
Benzenepropanoic acid, 4-[[(1R)-7-fluoro-2,3-dihydro-4-[6-[[(3R)-tetrahydro-3-furanyl]oxy]-3-pyridinyl]-1H-inden-1-yl]oxy]-β-1-propyn-1-yl-, (βS)-
Systematic Name English
IDG-16177
Code English
xelaglifam [INN]
Common Name English
(3S)-3-(4-{[(1R)-7-fluoro-4-(6-{[(3R)-oxolan-3-yl]oxy}pyridin-3-yl)-2,3-dihydro- 1H-inden-1-yl]oxy}phenyl)hex-4-ynoic acid
Systematic Name English
IDG16177
Code English
(βS)-4-[[(1R)-7-Fluoro-2,3-dihydro-4-[6-[[(3R)-tetrahydro-3-furanyl]oxy]-3-pyridinyl]-1H-inden-1-yl]oxy]-β-1-propyn-1-ylbenzenepropanoic acid
Systematic Name English
Code System Code Type Description
SMS_ID
300000033526
Created by admin on Fri Jul 07 00:49:34 UTC 2023 , Edited by admin on Fri Jul 07 00:49:34 UTC 2023
PRIMARY
INN
12335
Created by admin on Fri Jul 07 00:49:34 UTC 2023 , Edited by admin on Fri Jul 07 00:49:34 UTC 2023
PRIMARY
NCI_THESAURUS
C190501
Created by admin on Fri Jul 07 00:49:34 UTC 2023 , Edited by admin on Fri Jul 07 00:49:34 UTC 2023
PRIMARY
FDA UNII
Z45YM6Z5DF
Created by admin on Fri Jul 07 00:49:34 UTC 2023 , Edited by admin on Fri Jul 07 00:49:34 UTC 2023
PRIMARY
CAS
2230597-99-4
Created by admin on Fri Jul 07 00:49:34 UTC 2023 , Edited by admin on Fri Jul 07 00:49:34 UTC 2023
PRIMARY
PUBCHEM
135125120
Created by admin on Fri Jul 07 00:49:34 UTC 2023 , Edited by admin on Fri Jul 07 00:49:34 UTC 2023
PRIMARY