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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18N2O
Molecular Weight 218.2948
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N'-BUTANOYLNORNICOTINE

SMILES

CCCC(=O)N1CCC[C@H]1C2=CC=CN=C2

InChI

InChIKey=MIRXCTXDBCQAAR-LBPRGKRZSA-N
InChI=1S/C13H18N2O/c1-2-5-13(16)15-9-4-7-12(15)11-6-3-8-14-10-11/h3,6,8,10,12H,2,4-5,7,9H2,1H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H18N2O
Molecular Weight 218.2948
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 15:04:37 GMT 2023
Edited
by admin
on Sat Dec 16 15:04:37 GMT 2023
Record UNII
V62BKD4JB9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N'-BUTANOYLNORNICOTINE
Common Name English
PYRROLIDINE, 1-(1-OXOBUTYL)-2-(3-PYRIDINYL)-, (S)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10557833
Created by admin on Sat Dec 16 15:04:37 GMT 2023 , Edited by admin on Sat Dec 16 15:04:37 GMT 2023
PRIMARY
CAS
69730-91-2
Created by admin on Sat Dec 16 15:04:37 GMT 2023 , Edited by admin on Sat Dec 16 15:04:37 GMT 2023
PRIMARY
FDA UNII
V62BKD4JB9
Created by admin on Sat Dec 16 15:04:37 GMT 2023 , Edited by admin on Sat Dec 16 15:04:37 GMT 2023
PRIMARY
PUBCHEM
14241039
Created by admin on Sat Dec 16 15:04:37 GMT 2023 , Edited by admin on Sat Dec 16 15:04:37 GMT 2023
PRIMARY