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Capecitabine-2',3'-cyclicCarbonate

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Basic information
Standard English name
Cas No. 921769-65-5
Alias pentyl (5-fluoro-1-((3aR,4R,6R,6aR)-6-methyl-2-oxotetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate
Canonical Smiles C[C@H]1O[C@H]([C@@H]2OC(=O)O[C@H]12)N1C=C(F)C(NC(=O)OCCCCC)=NC1=O
MDL No.
Exact Mass 385.12853
Smiles O=C(OCCCCC)NC(C(F)=CN1[C@@H]2O[C@H](C)[C@]3([H])[C@@]2([H])OC(O3)=O)=NC1=O
Security information
Character
Storage Condition
Melting Point 68-69°C
Boiling Point
Flash Point
Chemical Stability
Density 1.58±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H315;H319
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P264;P280;P302+P352;P337+P313;P305+P351+P338;P362+P364;P332+P313
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/C16H20FN3O7/c1-3-4-5-6-24-15(22)19-12-9(17)7-20(14(21)18-12)13-11-10(8(2)25-13)26-16(23)27-11/h7-8,10-11,13H,3-6H2,1-2H3,(H,18,19,21,22)/t8-,10-,11-,13-/m1/s1
InchiKey VTAMAYSBXXKQPB-UORFTKCHSA-N
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