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About This Item
Empirical Formula (Hill Notation):
C22H24N2O8 · xH2O
CAS Number:
Molecular Weight:
444.43 (anhydrous basis)
UNSPSC Code:
12352115
PubChem Substance ID:
EC Number:
200-481-9
MDL number:
assay
99%
optical activity
[α]25/D −255°, c = 1 in 0.1 M HCl
mp
175-177 °C (lit.)
SMILES string
O.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(O)cccc4[C@@]3(C)O
InChI
1S/C22H24N2O8.H2O/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H2/t9-,10-,15-,21+,22-;/m0./s1
InChI key
ZRRILXUKODPUEN-FMZCEJRJSA-N
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2 - Repr. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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