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About This Item
Empirical Formula (Hill Notation):
C17H17N5O5
CAS Number:
Molecular Weight:
371.35
Beilstein:
632501
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
96%
form
solid
optical activity
[α]20/D -49°, c = 1% in DMSO
mp
141-145 °C (lit.)
SMILES string
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23
InChI
1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
InChI key
NZDWTKFDAUOODA-CNEMSGBDSA-N
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The Journal of pharmacology and experimental therapeutics, 363(2), 126-135 (2017-09-03)
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