EP-0042 fumarate

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 Search

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 `Sat Dec 16 19:47:56 UTC 2023` Edited by `admin` on `Sat Dec 16 19:47:56 UTC 2023`
Record UNII	4MJB6Z5H4F
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 19:47:57 UTC 2023 , Edited by admin on Sat Dec 16 19:47:57 UTC 2023

PRIMARY

FDA UNII

4MJB6Z5H4F

Created by admin on Sat Dec 16 19:47:57 UTC 2023 , Edited by admin on Sat Dec 16 19:47:57 UTC 2023

PRIMARY

PUBCHEM

168429516

Created by admin on Sat Dec 16 19:47:57 UTC 2023 , Edited by admin on Sat Dec 16 19:47:57 UTC 2023

PRIMARY

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