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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11NO2
Molecular Weight 177.1998
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (9S)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one

SMILES

O[C@H]1CCCC(=O)C2=CC=CN=C12

InChI

InChIKey=ZZNXHQSAOHUNDA-VIFPVBQESA-N
InChI=1S/C10H11NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6,9,13H,1,4-5H2/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11NO2
Molecular Weight 177.1998
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:52 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:52 GMT 2023
Record UNII
EX885W6BU3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(9S)-6,7,8,9-Tetrahydro-9-hydroxy-5H-cyclohepta[b]pyridin-5-one
Systematic Name English
(9S)-9-Hydroxy-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-5-one
Systematic Name English
Code System Code Type Description
FDA UNII
EX885W6BU3
Created by admin on Sat Dec 16 19:57:52 GMT 2023 , Edited by admin on Sat Dec 16 19:57:52 GMT 2023
PRIMARY
CAS
1190363-43-9
Created by admin on Sat Dec 16 19:57:52 GMT 2023 , Edited by admin on Sat Dec 16 19:57:52 GMT 2023
PRIMARY
PUBCHEM
57911407
Created by admin on Sat Dec 16 19:57:52 GMT 2023 , Edited by admin on Sat Dec 16 19:57:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY