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About This Item
Empirical Formula (Hill Notation):
C27H29NO6 · xH2O
CAS Number:
Molecular Weight:
463.52 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
51111800
MDL number:
Quality level:
Storage condition:
desiccated
InChI key
BOASXIAGFOONSK-UHFFFAOYSA-N
SMILES string
O.COCCOC(=O)C1=C(C)NC2=C(C1c3cccc(O)c3)C(=O)CC(C2)c4ccccc4OC
InChI
1S/C27H29NO6.H2O/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3;/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3;1H2
storage condition
desiccated
storage temp.
2-8°C
Quality Level
Biochem/physiol Actions
HPI-1 is a Hedgehog pathway inhibitor; Gli1/Gli2 inhibitor.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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