Xelaglifam

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 Search

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

Molecular Formula	C30H28FNO5
Molecular Weight	501.5454
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:33:11 UTC 2023` Edited by `admin` on `Sat Dec 16 19:33:11 UTC 2023`
Record UNII	Z45YM6Z5DF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Xelaglifam

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