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Bucladesine sodium

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Basic information
Standard English name
Cas No. 16980-89-5
Alias sodium (4aR,6R,7R,7aR)-6-(6-butyramido-9H-purin-9-yl)-7-(butyryloxy)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide
Canonical Smiles [Na+].CCCC(=O)NC1N=CN=C2C=1N=CN2[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1OC(=O)CCC
MDL No. MFCD00005843
Exact Mass 491.11819
Smiles CCCC(NC1=C2C(N([C@H]3[C@H](OC(CCC)=O)[C@H]4[C@@H](COP(O4)([O-])=O)O3)C=N2)=NC=N1)=O.[Na+]
Security information
Character
Storage Condition
Melting Point >173°C (dec.)
Boiling Point
Flash Point
Chemical Stability
Density
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H302;H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P261;P305+P351+P338
Water Solubility
Storage Temp.
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Chirality
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Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1
InchiKey KRBZRVBLIUDQNG-JBVYASIDSA-M
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