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About This Item
Empirical Formula (Hill Notation):
C9H9N3O2S2
CAS Number:
Molecular Weight:
255.32
EC Number:
200-771-5
UNSPSC Code:
12352200
PubChem Substance ID:
Beilstein/REAXYS Number:
226178
MDL number:
InChI key
JNMRHUJNCSQMMB-UHFFFAOYSA-N
InChI
1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
SMILES string
Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
grade
purum
assay
≥98.0% (N)
mp
201-204 °C
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 2
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives
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