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Details

Stereochemistry RACEMIC
Molecular Formula C18H13N4O3S.Na
Molecular Weight 388.376
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOF-4272

SMILES

[Na+].COC1=C(C=CC(=C1)C2=C3[N-]C=NC(=O)N3N=C2)[S+]([O-])C4=CC=CC=C4

InChI

InChIKey=FRSOALVXQKHLLF-UHFFFAOYSA-M
InChI=1S/C18H14N4O3S.Na/c1-25-15-9-12(14-10-21-22-17(14)19-11-20-18(22)23)7-8-16(15)26(24)13-5-3-2-4-6-13;/h2-11H,1H3,(H,19,20,21,23);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BOF-4272
Common Name English
PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4(3H)-ONE, 8-(3-METHOXY-4-(PHENYLSULFINYL)PHENYL)-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
CAS
142181-44-0
Created by admin on Fri Dec 15 19:21:56 UTC 2023 , Edited by admin on Fri Dec 15 19:21:56 UTC 2023
PRIMARY
PUBCHEM
23698229
Created by admin on Fri Dec 15 19:21:56 UTC 2023 , Edited by admin on Fri Dec 15 19:21:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID30931378
Created by admin on Fri Dec 15 19:21:56 UTC 2023 , Edited by admin on Fri Dec 15 19:21:56 UTC 2023
PRIMARY
FDA UNII
2Q33D25ZXE
Created by admin on Fri Dec 15 19:21:56 UTC 2023 , Edited by admin on Fri Dec 15 19:21:56 UTC 2023
PRIMARY
SUBSTANCE RECORD
Structure of BOF-4272
NIH
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