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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13NO3
Molecular Weight 267.2793
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-98059

SMILES

COC1=C(N)C(=CC=C1)C2=CC(=O)C3=C(O2)C=CC=C3

InChI

InChIKey=QFWCYNPOPKQOKV-UHFFFAOYSA-N
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H13NO3
Molecular Weight 267.2793
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:37:10 GMT 2025
Edited
by admin
on Mon Mar 31 23:37:10 GMT 2025
Record UNII
SJE1IO5E3I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-679829
Preferred Name English
PD-98059
Code English
2-(2'-AMINO-3'-METHOXYPHENYL)OXANAPHTHALEN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2-(2-AMINO-3-METHOXYPHENYL)-
Systematic Name English
2-(2-AMINO-3-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
PD-098059
Code English
PD 98059 [WHO-DD]
Common Name English
NSC-679828
Code English
Code System Code Type Description
FDA UNII
SJE1IO5E3I
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
CHEBI
77954
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID40168416
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
NSC
679829
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
CAS
167869-21-8
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
NCI_THESAURUS
C1625
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
NSC
679828
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY
PUBCHEM
4713
Created by admin on Mon Mar 31 23:37:10 GMT 2025 , Edited by admin on Mon Mar 31 23:37:10 GMT 2025
PRIMARY