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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 of BALICATIB MALEATE

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 UTC 2023
Edited
by admin
on Fri Dec 15 16:32:58 UTC 2023
Record UNII
C4P2GHS8LP
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Fri Dec 15 16:32:58 UTC 2023
PRIMARY
CAS
843609-18-7
Created by admin on Fri Dec 15 16:32:58 UTC 2023 , Edited by admin on Fri Dec 15 16:32:58 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
11398403
Created by admin on Fri Dec 15 16:32:58 UTC 2023 , Edited by admin on Fri Dec 15 16:32:58 UTC 2023
PRIMARY
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