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

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O3.C6H6N2O
Molecular Weight 308.3728
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOBUTYROL NICOTINAMIDE

SMILES

NC(=O)C1=CN=CC=C1.CCC(C(O)=O)C2(O)CCCCC2

InChI

InChIKey=UWNKRKZNNBHPML-UHFFFAOYSA-N
InChI=1S/C10H18O3.C6H6N2O/c1-2-8(9(11)12)10(13)6-4-3-5-7-10;7-6(9)5-2-1-3-8-4-5/h8,13H,2-7H2,1H3,(H,11,12);1-4H,(H2,7,9)

HIDE SMILES / InChI

Molecular Formula C6H6N2O
Molecular Weight 122.1246
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H18O3
Molecular Weight 186.2481
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 10:17:30 GMT 2023
Edited
by admin
on Sat Dec 16 10:17:30 GMT 2023
Record UNII
Y2I575WI0D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOBUTYROL NICOTINAMIDE
Common Name English
CYCLOHEXANEACETIC ACID, .ALPHA.-ETHYL-1-HYDROXY-, COMPD. WITH 3-PYRIDINECARBOXAMIDE (1:1)
Systematic Name English
NICOTINAMIDE, COMPDS. WITH .ALPHA.-ETHYL-1-HYDROXYCYCLOHEXANEACETIC ACID
Common Name English
CYCLOHEXANEACETIC ACID, .ALPHA.-ETHYL-1-HYDROXY-, COMPD. WITH NICOTINAMIDE
Common Name English
3-PYRIDINECARBOXAMIDE, MONO(.ALPHA.-ETHYL-1-HYDROXYCYCLOHEXANEACETATE)
Common Name English
Code System Code Type Description
PUBCHEM
112500458
Created by admin on Sat Dec 16 10:17:30 GMT 2023 , Edited by admin on Sat Dec 16 10:17:30 GMT 2023
PRIMARY
FDA UNII
Y2I575WI0D
Created by admin on Sat Dec 16 10:17:30 GMT 2023 , Edited by admin on Sat Dec 16 10:17:30 GMT 2023
PRIMARY
CAS
87425-18-1
Created by admin on Sat Dec 16 10:17:30 GMT 2023 , Edited by admin on Sat Dec 16 10:17:30 GMT 2023
PRIMARY