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Gemcitabine elaidate

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Basic information
Standard English name
Cas No. 210829-30-4
Alias ((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxytetrahydrofuran-2-yl)methyl (E)-octadec-9-enoate
Canonical Smiles CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O
MDL No. MFCD15145214
Exact Mass 527.31708
Smiles CCCCCCCC/C=C/CCCCCCCC(OC[C@@H]1[C@@H](O)C(F)(F)[C@H](N2C=CC(N)=NC2=O)O1)=O
Security information
Character
Storage Condition
Melting Point
Boiling Point 631.4±65.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.20±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS05
Hazard Category H302;H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions H302;H315;H318;H334;H317;H341;H361;H370;H335
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Danger
Useage
Inchi InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1
InchiKey HESSNRGIEVBPRB-QDDPNBLJSA-N
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