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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H14BrN5O6PS.Na
Molecular Weight 562.266
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DF-003 SODIUM

SMILES

[Na+].O[C@@H]1[C@@H]2O[P@]([O-])(=S)OC[C@H]2O[C@H]1N3C(Br)=NC4=C3N=C5NC(=CN5C4=O)C6=CC=CC=C6

InChI

InChIKey=SVMPQLHYWRTQCX-DBHVCDLJSA-M
InChI=1S/C18H15BrN5O6PS.Na/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8;/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32);/q;+1/p-1/t10-,12-,13-,16-,31-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LP-DF-003 SODIUM
Preferred Name English
DF-003 SODIUM
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/15/1462
Created by admin on Tue Apr 01 20:54:25 GMT 2025 , Edited by admin on Tue Apr 01 20:54:25 GMT 2025
Code System Code Type Description
FDA UNII
9QQM5R5DWL
Created by admin on Tue Apr 01 20:54:25 GMT 2025 , Edited by admin on Tue Apr 01 20:54:25 GMT 2025
PRIMARY
SMS_ID
300000013149
Created by admin on Tue Apr 01 20:54:25 GMT 2025 , Edited by admin on Tue Apr 01 20:54:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID00635674
Created by admin on Tue Apr 01 20:54:25 GMT 2025 , Edited by admin on Tue Apr 01 20:54:25 GMT 2025
PRIMARY
CAS
185246-32-6
Created by admin on Tue Apr 01 20:54:25 GMT 2025 , Edited by admin on Tue Apr 01 20:54:25 GMT 2025
PRIMARY