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Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H11N3.3C4H4O4
Molecular Weight 694.6454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of BIS(2-(2-METHYLIMIDAZOL-1-YLMETHYL)PYRIDINE) TRIFUMARATE

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CC1=NC=CN1CC2=NC=CC=C2.CC3=NC=CN3CC4=NC=CC=C4

InChI

InChIKey=JCXZEGIOMQSJSE-VQYXCCSOSA-N
InChI=1S/2C10H11N3.3C4H4O4/c2*1-9-11-6-7-13(9)8-10-4-2-3-5-12-10;3*5-3(6)1-2-4(7)8/h2*2-7H,8H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C10H11N3
Molecular Weight 173.2144
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:14:59 UTC 2023
Edited
by admin
on Sat Dec 16 11:14:59 UTC 2023
Record UNII
41B0340VO6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(2-(2-METHYLIMIDAZOL-1-YLMETHYL)PYRIDINE) TRIFUMARATE
Systematic Name English
NDD-094(TRIFUMARATE)
Common Name English
FUMARIC ACID; 2-((2-METHYLIMIDAZOL-1-YL)METHYL)PYRIDINE
Systematic Name English
Code System Code Type Description
FDA UNII
41B0340VO6
Created by admin on Sat Dec 16 11:14:59 UTC 2023 , Edited by admin on Sat Dec 16 11:14:59 UTC 2023
PRIMARY
PUBCHEM
131842339
Created by admin on Sat Dec 16 11:14:59 UTC 2023 , Edited by admin on Sat Dec 16 11:14:59 UTC 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
NDD-094(TRIFUMARATE)
Created by admin on Sat Dec 16 11:14:59 UTC 2023 , Edited by admin on Sat Dec 16 11:14:59 UTC 2023
PRIMARY The compound was obtained by condensation of 2-(chloromethyl)pyridine (I) with 2-methylimidazole (II) in hot DMF. The free base (III) was then treated with fumaric acid in EtOH to produce the title fumarate salt.
CAS
862156-56-7
Created by admin on Sat Dec 16 11:14:59 UTC 2023 , Edited by admin on Sat Dec 16 11:14:59 UTC 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
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