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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31N3O4
Molecular Weight 521.6062
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TD-5471

SMILES

COC1=C(C=C(NC2=CC=C(CCNC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)C=C2)C=C1)C5=CC=CC=C5

InChI

InChIKey=LGFPFBZHAODPHC-LJAQVGFWSA-N
InChI=1S/C32H31N3O4/c1-39-30-15-11-24(19-27(30)22-5-3-2-4-6-22)34-23-9-7-21(8-10-23)17-18-33-20-29(37)25-12-14-28(36)32-26(25)13-16-31(38)35-32/h2-16,19,29,33-34,36-37H,17-18,20H2,1H3,(H,35,38)/t29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TD-5471
Code English
2(1H)-QUINOLINONE, 8-HYDROXY-5-((1R)-1-HYDROXY-2-((2-(4-((6-METHOXY(1,1'-BIPHENYL)-3-YL)AMINO)PHENYL)ETHYL)AMINO)ETHYL)-
Systematic Name English
TD5471
Code English
N-(2-(4-((3-PHENYL-4-METHOXYPHENYL)AMINO)PHENYL)ETHYL)-(R)-2-HYDROXY-2-(8-HYDROXY-1,2-DIHYDRO-2-OXOQUINOLIN-5-YL)ETHYLAMINE
Systematic Name English
8-HYDROXY-5-((1R)-1-HYDROXY-2-((2-(4-((6-METHOXY(1,1'-BIPHENYL)-3-YL)AMINO)PHENYL)ETHYL)AMINO)ETHYL)-2(1H)-QUINOLINONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9871386
Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023
PRIMARY
CAS
530084-87-8
Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID30432118
Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023
PRIMARY
FDA UNII
M37E3NE7QB
Created by admin on Sat Dec 16 11:56:17 GMT 2023 , Edited by admin on Sat Dec 16 11:56:17 GMT 2023
PRIMARY