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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N2.C4H4O4
Molecular Weight 318.3676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-PYRIDYL)BICYCLO(2.2.2)OCTANE-1-AMINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.NC12CCC(CC1)(CC2)C3=CN=CC=C3

InChI

InChIKey=SLMGEEBSYSXDES-BTJKTKAUSA-N
InChI=1S/C13H18N2.C4H4O4/c14-13-6-3-12(4-7-13,5-8-13)11-2-1-9-15-10-11;5-3(6)1-2-4(7)8/h1-2,9-10H,3-8,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C13H18N2
Molecular Weight 202.2954
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:03:37 UTC 2019
Edited
by admin
on Tue Oct 22 12:03:37 UTC 2019
Record UNII
NN559ZFM70
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-PYRIDYL)BICYCLO(2.2.2)OCTANE-1-AMINE MALEATE
Systematic Name English
PYRIDINE, 3-(4-AMINOBICYCLO(2.2.2)OCT-1-YL)-, MALEATE (1:1)
Common Name English
BICYCLO(2.2.2)OCTAN-1-AMINE, 4-(3-PYRIDINYL)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
31731
Created by admin on Tue Oct 22 12:03:37 UTC 2019 , Edited by admin on Tue Oct 22 12:03:37 UTC 2019
PRIMARY
CAS
23239-55-6
Created by admin on Tue Oct 22 12:03:37 UTC 2019 , Edited by admin on Tue Oct 22 12:03:37 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE