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About This Item
Empirical Formula (Hill Notation):
C17H17NO2 · C7H8O3S
CAS Number:
Molecular Weight:
439.52
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
406-960-0
Beilstein/REAXYS Number:
5722289
MDL number:
Assay:
97%
InChI key
PSMBIFNNFMRIMV-NTISSMGPSA-N
InChI
1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1
SMILES string
Cc1ccc(cc1)S(O)(=O)=O.O=C(OCc2ccccc2)[C@@H]3Cc4ccccc4CN3
assay
97%
mp
145-150 °C (lit.)
Application
Used to prepare a novel class of antifungal agents.
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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Liu, L.T. et al.
Bioorganic & Medicinal Chemistry Letters, 6, 1335-1335 (1996)
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