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Entecavir

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Entecavir / CAS : 209216-23-9

Appearance White or off white crystalline powder UN 0.0
HS 29335990 DG Class 0.0
Synonyms Entecavir Hydrate; Entecavir Monohydrate; 2-Amino-1,9-Dihydro-9-[(1S,3R,4S)-4-Hydroxy-3-(Hydroxymethyl)-2-Methylenecyclopentyl]-6H-Purin-6-One Monohydrate; 2-Amino-9-((1S,3R,4S)-4-Hydroxy-3-(Hydroxymethyl)-2- Methylenecyclopentyl)-1H-Purin-6(9H)-One; 6H-Purin-6-One, 2-Amino-1,9-Dihydro-9-[(1S,3R,4S)-4-Hydroxy-3-(Hydroxymethyl)-2-Methylenecyclopentyl]-, Hydrate
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Properties

Summary

Formula
C12H17N5O4
Molecular Mass
295.29400
Exact Mass
295.12800
PSA
139.28000
Logp
-0.31090
IUPAC
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate
SMILES
C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N.O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Synthetic Anti Infective Drugs

Chemical and Physical Properties

Melting Point
>220°
Density
1.81
Boiling Point
661.4ºC
Flash Point
353.8ºC
Appearance
White or off white crystalline powder
Acidity and Basicity
neutral

Export information

HS Code
29335990
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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