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Entecavir hydrate

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Basic information
Standard English name
Cas No. 209216-23-9
Alias 2-amino-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one hydrate
Canonical Smiles O.C=C1[C@H](CO)[C@@H](O)C[C@@H]1N1C=NC2C(=O)NC(N)=NC1=2
MDL No. MFCD09754448
Exact Mass 295.12805
Smiles O=C1NC(N)=NC2=C1N=CN2[C@@H]3C([C@H](CO)[C@@H](O)C3)=C.[H]O[H]
Security information
Character
Storage Condition
Melting Point >220°
Boiling Point
Flash Point
Chemical Stability
Density
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS08
Hazard Category H351;H372
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P201;P202;P260;P264;P270;P308+P313
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Danger
Useage
Inchi InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1
InchiKey YXPVEXCTPGULBZ-WQYNNSOESA-N
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