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

Details

Stereochemistry UNKNOWN
Molecular Formula C14H14O4
Molecular Weight 246.2586
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 10-HYDROXY 667-COUMARIN

SMILES

OC1CCC2=C(CC1)C3=CC=C(O)C=C3OC2=O

InChI

InChIKey=XDBZDYVBAHEHGF-UHFFFAOYSA-N
InChI=1S/C14H14O4/c15-8-1-4-10-11-5-3-9(16)7-13(11)18-14(17)12(10)6-2-8/h3,5,7-8,15-16H,1-2,4,6H2

HIDE SMILES / InChI

Molecular Formula C14H14O4
Molecular Weight 246.2586
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:21:24 UTC 2023
Edited
by admin
on Sat Dec 16 15:21:24 UTC 2023
Record UNII
P263M6M25L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
10-HYDROXY 667-COUMARIN
Common Name English
BENZO(B)CYCLOHEPTA(D)PYRAN-6(7H)-ONE, 8,9,10,11-TETRAHYDRO-3,9-DIHYDROXY-
Systematic Name English
10-HYDROXY-667 COUMARIN
Common Name English
8,9,10,11-TETRAHYDRO-3,9-DIHYDROXY BENZO(B)CYCLOHEPTA(D)PYRAN-6(7H)-ONE
Systematic Name English
IROSUSTAT METABOLITE M8
Common Name English
Code System Code Type Description
CAS
1349195-18-1
Created by admin on Sat Dec 16 15:21:24 UTC 2023 , Edited by admin on Sat Dec 16 15:21:24 UTC 2023
PRIMARY
FDA UNII
P263M6M25L
Created by admin on Sat Dec 16 15:21:24 UTC 2023 , Edited by admin on Sat Dec 16 15:21:24 UTC 2023
PRIMARY
PUBCHEM
155804626
Created by admin on Sat Dec 16 15:21:24 UTC 2023 , Edited by admin on Sat Dec 16 15:21:24 UTC 2023
PRIMARY PUBCHEM
Related Record Type Details
PARENT -> METABOLITE
IN VITRO