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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H26N2O
Molecular Weight 274.4011
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Octanoylnornicotine

SMILES

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

InChI

InChIKey=KEQBTQJDZSZAMQ-INIZCTEOSA-N
InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-17(20)19-13-8-10-16(19)15-9-7-12-18-14-15/h7,9,12,14,16H,2-6,8,10-11,13H2,1H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H26N2O
Molecular Weight 274.4011
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 Fri Dec 15 18:31:20 GMT 2023
Edited
by admin
on Fri Dec 15 18:31:20 GMT 2023
Record UNII
2L29H3D6FG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Octanoylnornicotine
Common Name English
1-[(2S)-2-(3-Pyridinyl)-1-pyrrolidinyl]-1-octanone
Systematic Name English
1-Octanone, 1-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
162334
Created by admin on Fri Dec 15 18:31:20 GMT 2023 , Edited by admin on Fri Dec 15 18:31:20 GMT 2023
PRIMARY
FDA UNII
2L29H3D6FG
Created by admin on Fri Dec 15 18:31:20 GMT 2023 , Edited by admin on Fri Dec 15 18:31:20 GMT 2023
PRIMARY
CAS
38854-10-3
Created by admin on Fri Dec 15 18:31:20 GMT 2023 , Edited by admin on Fri Dec 15 18:31:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID10959636
Created by admin on Fri Dec 15 18:31:20 GMT 2023 , Edited by admin on Fri Dec 15 18:31:20 GMT 2023
PRIMARY