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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24F3NO3
Molecular Weight 383.4047
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[[(3S)-3,4-Dihydro-3-methyl-6-(4,4,4-trifluorobutoxy)-2-naphthalenyl]methyl]-3-azetidinecarboxylic acid

SMILES

C[C@H]1CC2=CC(OCCCC(F)(F)F)=CC=C2C=C1CN3CC(C3)C(O)=O

InChI

InChIKey=XKYTZMBQIKKIIW-ZDUSSCGKSA-N
InChI=1S/C20H24F3NO3/c1-13-7-15-9-18(27-6-2-5-20(21,22)23)4-3-14(15)8-16(13)10-24-11-17(12-24)19(25)26/h3-4,8-9,13,17H,2,5-7,10-12H2,1H3,(H,25,26)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24F3NO3
Molecular Weight 383.4047
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:31:51 GMT 2025
Edited
by admin
on Wed Apr 02 17:31:51 GMT 2025
Record UNII
APE8X7S2BU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[[(3S)-3,4-Dihydro-3-methyl-6-(4,4,4-trifluorobutoxy)-2-naphthalenyl]methyl]-3-azetidinecarboxylic acid
Systematic Name English
S1P5 receptor agonist-1
Preferred Name English
(S)-1-((3-Methyl-6-(4,4,4-trifluorobutoxy)-3,4-dihydronaphthalen-2-yl)methyl)azetidine-3-carboxylic acid
Systematic Name English
3-Azetidinecarboxylic acid, 1-[[(3S)-3,4-dihydro-3-methyl-6-(4,4,4-trifluorobutoxy)-2-naphthalenyl]methyl]-
Systematic Name English
1-[[(3S)-3-Methyl-6-(4,4,4-trifluorobutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
Systematic Name English
Code System Code Type Description
CAS
2373330-78-8
Created by admin on Wed Apr 02 17:31:51 GMT 2025 , Edited by admin on Wed Apr 02 17:31:51 GMT 2025
PRIMARY
FDA UNII
APE8X7S2BU
Created by admin on Wed Apr 02 17:31:51 GMT 2025 , Edited by admin on Wed Apr 02 17:31:51 GMT 2025
PRIMARY
PUBCHEM
139434317
Created by admin on Wed Apr 02 17:31:51 GMT 2025 , Edited by admin on Wed Apr 02 17:31:51 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST