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Details

Stereochemistry ACHIRAL
Molecular Formula C19H24N4O3
Molecular Weight 356.4189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PIBUTIDINE

SMILES

NC1=C(NC\C=C/COC2=NC=CC(CN3CCCCC3)=C2)C(=O)C1=O

InChI

InChIKey=XMDYZASWLGWIPL-DJWKRKHSSA-N
InChI=1S/C19H24N4O3/c20-16-17(19(25)18(16)24)22-7-2-5-11-26-15-12-14(6-8-21-15)13-23-9-3-1-4-10-23/h2,5-6,8,12,22H,1,3-4,7,9-11,13,20H2/b5-2-

HIDE SMILES / InChI

Molecular Formula C19H24N4O3
Molecular Weight 356.4189
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 17:32:14 UTC 2023
Edited
by admin
on Sat Dec 16 17:32:14 UTC 2023
Record UNII
4XRL9PL02Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIBUTIDINE
INN  
INN  
Official Name English
3-AMINO-4-(((Z)-4-((4-(PIPERIDINOMETHYL)-2-PYRIDYL)OXY)-2-BUTENYL)AMINO)-3-CYCLOBUTENE-1,2-DIONE
Systematic Name English
pibutidine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29702
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
Code System Code Type Description
CAS
103922-33-4
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
CHEBI
145662
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
EVMPD
SUB09805MIG
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
FDA UNII
4XRL9PL02Y
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
INN
7711
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL1742413
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID4048802
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
NCI_THESAURUS
C81156
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
SMS_ID
100000082451
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
PUBCHEM
5282450
Created by admin on Sat Dec 16 17:32:14 UTC 2023 , Edited by admin on Sat Dec 16 17:32:14 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY