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Details

Stereochemistry ACHIRAL
Molecular Formula C31H37N5O3
Molecular Weight 527.6572
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAMIRASTINE

SMILES

CC(C)(C(O)=O)C1=CN2N=C(NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=CC2=N1

InChI

InChIKey=WTBRUSNNZKWTMI-UHFFFAOYSA-N
InChI=1S/C31H37N5O3/c1-31(2,30(37)38)26-22-36-28(33-26)15-14-27(34-36)32-18-9-19-35-20-16-25(17-21-35)39-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-15,22,25,29H,9,16-21H2,1-2H3,(H,32,34)(H,37,38)

HIDE SMILES / InChI

Approval Year

Name Type Language
BAMIRASTINE
INN  
INN  
Official Name English
TAK427
Code English
TAK-427
Code English
bamirastine [INN]
Common Name English
2-(6-((3-(4-(DIPHENYLMETHOXY)PIPERIDIN-1-YL)PROPYL)AMINO)IMIDAZO(1,2-B)PYRIDAZIN-2-YL)-2-METHYLPROPANOIC ACID
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
Code System Code Type Description
CAS
215529-47-8
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
NCI_THESAURUS
C79560
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
INN
8463
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID60175889
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
SMS_ID
300000037010
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
FDA UNII
SIG10953FN
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107732
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY
PUBCHEM
9806921
Created by admin on Sat Dec 16 18:03:13 UTC 2023 , Edited by admin on Sat Dec 16 18:03:13 UTC 2023
PRIMARY