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About This Item
Empirical Formula (Hill Notation):
C18H13N3O
CAS Number:
Molecular Weight:
287.32
NACRES:
NA.25
PubChem Substance ID:
UNSPSC Code:
41116107
MDL number:
Assay:
>98% (HPLC)
Form:
solid
Quality Segment
assay
>98% (HPLC)
form
solid
color
white
solubility
DMSO: soluble 18 mg/mL (clear yellow solution), H2O: insoluble
storage temp.
2-8°C
SMILES string
O=C1N2CCc3c([nH]c4ccccc34)C2=Nc5ccccc15
InChI
1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
InChI key
ACVGWSKVRYFWRP-UHFFFAOYSA-N
Gene Information
human ... CYP1A1(1543), CYP1A2(1544), CYP1B1(1545)
Biochem/physiol Actions
Delayed rectifier K+ channel blocker. Inhibits platelet aggregation; vasoldilator.
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signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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