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About This Item
Empirical Formula (Hill Notation):
C21H22N2O6
CAS Number:
Molecular Weight:
398.41
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Product Name
MRS 1845, ≥95% (HPLC), solid
InChI key
BITHABUTZRAUGT-UHFFFAOYSA-N
SMILES string
CCOC(=O)C1=C(C)N(CC#C)C(C)=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC
InChI
1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3
assay
≥95% (HPLC)
form
solid
color
yellow
solubility
DMSO: soluble ≥10 mg/mL at 60 °C
H2O: insoluble
storage temp.
2-8°C
Quality Level
Related Categories
Biochem/physiol Actions
Store-operated calcium (SOC) channel inhibitor.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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