U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12O5
Molecular Weight 236.2207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXY-6-(2-HYDROXYETHYL)-5-METHOXY-2H-1-BENZOPYRAN-2-ONE

SMILES

COC1=C2C=CC(=O)OC2=CC(O)=C1CCO

InChI

InChIKey=AGJAOWOJQAVOSK-UHFFFAOYSA-N
InChI=1S/C12H12O5/c1-16-12-7(4-5-13)9(14)6-10-8(12)2-3-11(15)17-10/h2-3,6,13-14H,4-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H12O5
Molecular Weight 236.2207
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 Sat Dec 16 15:20:49 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:49 GMT 2023
Record UNII
PCQ65LZY7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-HYDROXY-6-(2-HYDROXYETHYL)-5-METHOXY-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 7-HYDROXY-6-(2-HYDROXYETHYL)-5-METHOXY-
Systematic Name English
5-METHOXYPSORALEN METABOLITE B
Common Name English
Code System Code Type Description
FDA UNII
PCQ65LZY7R
Created by admin on Sat Dec 16 15:20:49 GMT 2023 , Edited by admin on Sat Dec 16 15:20:49 GMT 2023
PRIMARY
CAS
145950-76-1
Created by admin on Sat Dec 16 15:20:49 GMT 2023 , Edited by admin on Sat Dec 16 15:20:49 GMT 2023
PRIMARY
PUBCHEM
85673185
Created by admin on Sat Dec 16 15:20:49 GMT 2023 , Edited by admin on Sat Dec 16 15:20:49 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE