FR-172516 free base

Details

Stereochemistry	EPIMERIC
Molecular Formula	C31H36F3N3O9
Molecular Weight	651.6274
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C)NC(=C(C1C2=CC(=CC=C2OCCCCNC[C@H](O)COC3=CC=CC=C3C)[N+]([O-])=O)C(=O)OC)C(F)(F)F

InChI

InChIKey=PHIYDPFPGBQDSM-GVNKFJBHSA-N

InChI=1S/C31H36F3N3O9/c1-18-9-5-6-10-23(18)46-17-21(38)16-35-13-7-8-14-45-24-12-11-20(37(41)42)15-22(24)26-25(29(39)43-3)19(2)36-28(31(32,33)34)27(26)30(40)44-4/h5-6,9-12,15,21,26,35-36,38H,7-8,13-14,16-17H2,1-4H3/t21-,26?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

FR-172516 free base

Common Name

English

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[2-[4-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-, 3,5-dimethyl ester

Preferred Name

English

FR172516 free base

Common Name

English

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[2-[4-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-, dimethyl ester, [4(S)]-

Systematic Name

English

3,5-Dimethyl 1,4-dihydro-4-[2-[4-[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-3,5-pyridinedicarboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

C7349ZY2LJ

Created by admin on Mon Mar 31 22:36:19 GMT 2025 , Edited by admin on Mon Mar 31 22:36:19 GMT 2025

PRIMARY

CAS

188564-72-9

Created by admin on Mon Mar 31 22:36:19 GMT 2025 , Edited by admin on Mon Mar 31 22:36:19 GMT 2025

PRIMARY

PUBCHEM

9896311

Created by admin on Mon Mar 31 22:36:19 GMT 2025 , Edited by admin on Mon Mar 31 22:36:19 GMT 2025

PRIMARY

ACTIVE MOIETY


					C7349ZY2LJ

FR-172516 free base