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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16N2
Molecular Weight 188.2688
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane, (2S)-

SMILES

C1CN2CCC1C[C@H]2C3=CN=CC=C3

InChI

InChIKey=YJYPZLAZNIGNRP-LBPRGKRZSA-N
InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H16N2
Molecular Weight 188.2688
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 19:29:46 GMT 2023
Edited
by admin
on Sat Dec 16 19:29:46 GMT 2023
Record UNII
57PHQ8PW56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane, (2S)-
Systematic Name English
1-Azabicyclo[2.2.2]octane, 2-(3-pyridinyl)-, (2S)-
Systematic Name English
(2S)-2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane
Systematic Name English
Code System Code Type Description
PUBCHEM
10352464
Created by admin on Sat Dec 16 19:29:46 GMT 2023 , Edited by admin on Sat Dec 16 19:29:46 GMT 2023
PRIMARY
CAS
1021422-04-7
Created by admin on Sat Dec 16 19:29:46 GMT 2023 , Edited by admin on Sat Dec 16 19:29:46 GMT 2023
PRIMARY
FDA UNII
57PHQ8PW56
Created by admin on Sat Dec 16 19:29:46 GMT 2023 , Edited by admin on Sat Dec 16 19:29:46 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER