JTS-653

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H21F3N4O4
Molecular Weight	474.4324
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(N=C1)N2[C@@H](CO)COC3=C2C=CC=C3C(=O)NC4=CC=C(OCC(F)(F)F)N=C4

InChI

InChIKey=QZUCKCLSVBFSOS-INIZCTEOSA-N

InChI=1S/C23H21F3N4O4/c1-14-5-7-19(27-9-14)30-16(11-31)12-33-21-17(3-2-4-18(21)30)22(32)29-15-6-8-20(28-10-15)34-13-23(24,25)26/h2-10,16,31H,11-13H2,1H3,(H,29,32)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

JTS-653

Code

English

JTS653

Preferred Name

English

2H-1,4-BENZOXAZINE-8-CARBOXAMIDE, 3,4-DIHYDRO-3-(HYDROXYMETHYL)-4-(5-METHYL-2-PYRIDINYL)-N-(6-(2,2,2-TRIFLUOROETHOXY)-3-PYRIDINYL)-, (3S)-

Systematic Name

English

(3S)-3-(HYDROXYMETHYL)-4-(5-METHYL-2-PYRIDYL)-N-(6-(2,2,2-TRIFLUOROETHOXY)-3-PYRIDYL)-2,3-DIHYDRO-1,4-BENZOXAZINE-8-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

2TM92XK3YA

Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025

PRIMARY

ChEMBL

CHEMBL3545228

Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025

PRIMARY

CAS

942614-99-5

Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025

PRIMARY

PUBCHEM

23628017

Created by admin on Tue Apr 01 16:40:24 GMT 2025 , Edited by admin on Tue Apr 01 16:40:24 GMT 2025

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ACTIVE MOIETY


					2TM92XK3YA

JTS-653