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经验公式(希尔记法):
C10H12BrN5O4
化学文摘社编号:
分子量:
346.14
UNSPSC Code:
41106305
NACRES:
NA.51
PubChem Substance ID:
EC Number:
220-959-0
Beilstein/REAXYS Number:
627737
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Solubility:
1 M HCl: 49-51 mg/mL, clear, colorless to faintly yellow
Storage temp.:
−20°C
InChI key
VJUPMOPLUQHMLE-UUOKFMHZSA-N
InChI
1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
SMILES string
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Br)nc12
assay
≥98% (HPLC)
form
powder
optical activity
[α]/D -55 to -50°, c = 22-28 mg/mL in DMSO
color
white
mp
210-212 °C (dec.) (lit.)
solubility
1 M HCl: 49-51 mg/mL, clear, colorless to faintly yellow
storage temp.
−20°C
Quality Level
Gene Information
rat ... Adora2a(25369)
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存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
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