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Details

Stereochemistry RACEMIC
Molecular Formula C11H13NO3.ClH
Molecular Weight 243.687
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THURFYLNICOTINATE HYDROCHLORIDE

SMILES

Cl.O=C(OCC1CCCO1)C2=CC=CN=C2

InChI

InChIKey=ZKNSPKBZCPLLGV-UHFFFAOYSA-N
InChI=1S/C11H13NO3.ClH/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10;/h1,3,5,7,10H,2,4,6,8H2;1H

HIDE SMILES / InChI

Molecular Formula C11H13NO3
Molecular Weight 207.2258
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
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 20:55:01 GMT 2025
Edited
by admin
on Mon Mar 31 20:55:01 GMT 2025
Record UNII
T7G5Y715HD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THURFYLNICOTINATE HYDROCHLORIDE
Common Name English
THURFYLNICOTINATE HCL
INCI  
INCI  
Preferred Name English
(±)-THURFYLNICOTINATE HYDROCHLORIDE
Common Name English
TETRAHYDROFURFURYL NICOTINATE HYDROCHLORIDE
Systematic Name English
3-PYRIDINECARBOXYLIC ACID, (TETRAHYDRO-2-FURANYL)METHYL ESTER, HYDROCHLORIDE (1:1)
Common Name English
THURFYL NICOTINATE HYDROCHLORIDE
Common Name English
THURFYLNICOTINATE HYDROCHLORIDE, (±)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70944785
Created by admin on Mon Mar 31 20:55:01 GMT 2025 , Edited by admin on Mon Mar 31 20:55:01 GMT 2025
PRIMARY
FDA UNII
T7G5Y715HD
Created by admin on Mon Mar 31 20:55:01 GMT 2025 , Edited by admin on Mon Mar 31 20:55:01 GMT 2025
PRIMARY
CAS
221363-35-5
Created by admin on Mon Mar 31 20:55:01 GMT 2025 , Edited by admin on Mon Mar 31 20:55:01 GMT 2025
PRIMARY
PUBCHEM
71587654
Created by admin on Mon Mar 31 20:55:01 GMT 2025 , Edited by admin on Mon Mar 31 20:55:01 GMT 2025
PRIMARY
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