Nesvategrast

Investigational

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 Search

SMILES

OC(=O)C[C@H](N1CCN(CCCC2=NC3=C(CCCN3)C=C2)C1=O)C4=CC=C(OC(F)F)N=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 `Tue Apr 01 19:59:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:59:23 GMT 2025`
Record UNII	49958O183Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Nesvategrast

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

Preferred Name

English

(?S)-6-(Difluoromethoxy)-?-[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)-?-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-imidazolidinyl]-, (?S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76899969