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Details

Stereochemistry UNKNOWN
Molecular Formula C9H13NO2
Molecular Weight 167.205
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-PYRIDINYL)-1,4-BUTANEDIOL

SMILES

OCCCC(O)C1=CN=CC=C1

InChI

InChIKey=RGJHRVMTLGLFPX-UHFFFAOYSA-N
InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2

HIDE SMILES / InChI

Molecular Formula C9H13NO2
Molecular Weight 167.205
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 15:33:50 GMT 2023
Edited
by admin
on Sat Dec 16 15:33:50 GMT 2023
Record UNII
TA2PTK4KE9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-PYRIDINYL)-1,4-BUTANEDIOL
Systematic Name English
4-HYDROXY-4-(3-PYRIDYL)-BUTANOL
Systematic Name English
1,4-BUTANEDIOL, 1-(3-PYRIDINYL)-
Systematic Name English
4-HYDROXY-4-(3-PYRIDYL)-BUTAN-1-OL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20997362
Created by admin on Sat Dec 16 15:33:50 GMT 2023 , Edited by admin on Sat Dec 16 15:33:50 GMT 2023
PRIMARY
PUBCHEM
156653
Created by admin on Sat Dec 16 15:33:50 GMT 2023 , Edited by admin on Sat Dec 16 15:33:50 GMT 2023
PRIMARY
CAS
76014-83-0
Created by admin on Sat Dec 16 15:33:50 GMT 2023 , Edited by admin on Sat Dec 16 15:33:50 GMT 2023
PRIMARY
FDA UNII
TA2PTK4KE9
Created by admin on Sat Dec 16 15:33:50 GMT 2023 , Edited by admin on Sat Dec 16 15:33:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE