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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N4O.C4H4O4
Molecular Weight 450.487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PD-168077 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CC1=CC=CC(=C1)C(=O)NCN2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChIKey=NAEUGRPISCANHO-BTJKTKAUSA-N
InChI=1S/C20H22N4O.C4H4O4/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,15H2,1H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C20H22N4O
Molecular Weight 334.4149
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 Sun Dec 18 23:28:08 UTC 2022
Edited
by admin
on Sun Dec 18 23:28:08 UTC 2022
Record UNII
9YX2UJ5W5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-168077 MALEATE
Code English
BENZAMIDE, N-((4-(2-CYANOPHENYL)-1-PIPERAZINYL)METHYL)-3-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
N-((4-(2-CYANOPHENYL)PIPERAZIN-1-YL)METHYL)-3-METHYLBENZAMIDE MALEATE
Systematic Name English
Code System Code Type Description
CAS
1186217-34-4
Created by admin on Sun Dec 18 23:28:09 UTC 2022 , Edited by admin on Sun Dec 18 23:28:09 UTC 2022
NON-SPECIFIC STEREOCHEMISTRY
CAS
630117-19-0
Created by admin on Sun Dec 18 23:28:09 UTC 2022 , Edited by admin on Sun Dec 18 23:28:09 UTC 2022
PRIMARY
FDA UNII
9YX2UJ5W5P
Created by admin on Sun Dec 18 23:28:09 UTC 2022 , Edited by admin on Sun Dec 18 23:28:09 UTC 2022
PRIMARY
PUBCHEM
11957665
Created by admin on Sun Dec 18 23:28:09 UTC 2022 , Edited by admin on Sun Dec 18 23:28:09 UTC 2022
PRIMARY
CAS
376364-35-1
Created by admin on Sun Dec 18 23:28:09 UTC 2022 , Edited by admin on Sun Dec 18 23:28:09 UTC 2022
NON-SPECIFIC STOICHIOMETRY
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ACTIVE MOIETY