Regadenoson

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Basic information
Standard English name
Cas No. 313348-27-5
Alias 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
Canonical Smiles CNC(=O)C1=CN(N=C1)C1N=C2C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C(N)N=1
MDL No. MFCD09832544
Exact Mass 390.14001
Smiles CNC(C1=CN(C2=NC(N)=C3C(N([C@H]4[C@H](O)[C@H](O)[C@@H](CO)O4)C=N3)=N2)N=C1)=O
Security information
Character
Storage Condition
Melting Point 158-160°C
Boiling Point
Flash Point
Chemical Stability
Density 1.98±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS06
Hazard Category H300;H330;H310
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P261;P305+P351+P338
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Danger
Useage
Inchi InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
InchiKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N
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