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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27F2N5O4
Molecular Weight 475.4884
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nesvategrast

SMILES

OC(=O)C[C@H](N1CCN(CCCC2=CC=C3CCCNC3=N2)C1=O)C4=CN=C(OC(F)F)C=C4

InChI

InChIKey=IGUVQCZYMKVWFL-SFHVURJKSA-N
InChI=1S/C23H27F2N5O4/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27F2N5O4
Molecular Weight 475.4884
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 Sat Dec 16 12:55:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:47 GMT 2023
Record UNII
49958O183Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nesvategrast
INN  
Official Name English
(S)-3-(6-(DIFLUOROMETHOXY)PYRIDIN-3-YL)-3-(OXO-2-3-(3-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPYL)IMIDAZOLIDIN-1-YL)PROPANOATE
Common Name English
(βS)-6-(Difluoromethoxy)-β-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-3-pyridinepropanoic acid
Systematic Name English
SF-0166 FREE ACID
Common Name English
nesvategrast [INN]
Common Name English
3-Pyridinepropanoic acid, 6-(difluoromethoxy)-β-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-, (βS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76899969
Created by admin on Sat Dec 16 12:55:47 GMT 2023 , Edited by admin on Sat Dec 16 12:55:47 GMT 2023
PRIMARY
INN
12702
Created by admin on Sat Dec 16 12:55:47 GMT 2023 , Edited by admin on Sat Dec 16 12:55:47 GMT 2023
PRIMARY
FDA UNII
49958O183Z
Created by admin on Sat Dec 16 12:55:47 GMT 2023 , Edited by admin on Sat Dec 16 12:55:47 GMT 2023
PRIMARY
CAS
1621332-91-9
Created by admin on Sat Dec 16 12:55:47 GMT 2023 , Edited by admin on Sat Dec 16 12:55:47 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY