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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17Br2N5O4
Molecular Weight 491.135
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Purealidin J

SMILES

COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCC3=CN=C(N)N3)C=C1Br

InChI

InChIKey=NBOVGEUANNHLCZ-SWLSCSKDSA-N
InChI=1S/C15H17Br2N5O4/c1-25-11-8(16)4-15(12(23)10(11)17)5-9(22-26-15)13(24)19-3-2-7-6-20-14(18)21-7/h4,6,12,23H,2-3,5H2,1H3,(H,19,24)(H3,18,20,21)/t12-,15+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(+)-Purealidine J
Preferred Name English
Purealidin J
Common Name English
Purealidine J
Common Name English
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[2-(2-amino-1H-imidazol-4-yl)ethyl]-7,9-dibromo-10-hydroxy-8-methoxy-, (5S,10R)-
Systematic Name English
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[2-(2-amino-1H-imidazol-4-yl)ethyl]-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-trans)-
Systematic Name English
Code System Code Type Description
FDA UNII
3U5T279SSX
Created by admin on Wed Apr 02 17:21:00 GMT 2025 , Edited by admin on Wed Apr 02 17:21:00 GMT 2025
PRIMARY
PUBCHEM
10435703
Created by admin on Wed Apr 02 17:21:00 GMT 2025 , Edited by admin on Wed Apr 02 17:21:00 GMT 2025
PRIMARY
CAS
167394-75-4
Created by admin on Wed Apr 02 17:21:00 GMT 2025 , Edited by admin on Wed Apr 02 17:21:00 GMT 2025
PRIMARY