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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23Cl2N7.C4H4O4
Molecular Weight 572.443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of EP-0042 fumarate

SMILES

OC(=O)\C=C\C(O)=O.CN1C=C(C(C)=N1)C2=NC3=C(N4CCN(CC5=CC=C(Cl)C=C5)CC4)C(Cl)=CN=C3N2

InChI

InChIKey=UIMZDXQNEDHRLZ-WLHGVMLRSA-N
InChI=1S/C22H23Cl2N7.C4H4O4/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15;5-3(6)1-2-4(7)8/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula C22H23Cl2N7
Molecular Weight 456.371
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:53:39 UTC 2023
Edited
by admin
on Fri Jul 07 00:53:39 UTC 2023
Record UNII
4MJB6Z5H4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EP-0042 fumarate
Code English
CCT-241736 fumarate
Code English
EP0042 fumarate
Code English
3H-Imidazo[4,5-b]pyridine, 6-chloro-7-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(1,3-dimethyl-1H-pyrazol-4-yl)-, (2E)-2-butenedioate (1:1)
Systematic Name English
6-Chloro-7-[4-[4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-3H- imidazo[4,5-b]pyridine-3-ium fumarate
Systematic Name English
Code System Code Type Description
CAS
2699074-89-8
Created by admin on Fri Jul 07 00:53:40 UTC 2023 , Edited by admin on Fri Jul 07 00:53:40 UTC 2023
PRIMARY
FDA UNII
4MJB6Z5H4F
Created by admin on Fri Jul 07 00:53:40 UTC 2023 , Edited by admin on Fri Jul 07 00:53:40 UTC 2023
PRIMARY
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ACTIVE MOIETY