BALICATIB MALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H33N5O2.C4H4O4
Molecular Weight	527.6126
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.CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChIKey=JFRMJUKQMPDVEF-BTJKTKAUSA-N

InChI=1S/C23H33N5O2.C4H4O4/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24;5-3(6)1-2-4(7)8/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula	C23H33N5O2
Molecular Weight	411.5404
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 Dec 15 16:32:58 GMT 2023` Edited by `admin` on `Fri Dec 15 16:32:58 GMT 2023`
Record UNII	C4P2GHS8LP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALICATIB MALEATE

Common Name

English

AAE-581 MALEATE

Code

English

BENZAMIDE, N-(1-(((CYANOMETHYL)AMINO)CARBONYL)CYCLOHEXYL)-4-(4-PROPYL-1-PIPERAZINYL)-, (2Z)-2-BUTENEDIOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

C4P2GHS8LP

Created by admin on Fri Dec 15 16:32:58 GMT 2023 , Edited by admin on Fri Dec 15 16:32:58 GMT 2023

PRIMARY

CAS

843609-18-7

Created by admin on Fri Dec 15 16:32:58 GMT 2023 , Edited by admin on Fri Dec 15 16:32:58 GMT 2023

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

11398403

Created by admin on Fri Dec 15 16:32:58 GMT 2023 , Edited by admin on Fri Dec 15 16:32:58 GMT 2023

PRIMARY

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