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Doxycycline Monohydrate

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Doxycycline Monohydrate / CAS : 17086-28-1

Appearance powder or crystals UN 0.0
HS - DG Class 0.0
Synonyms Doxycycline Hydrate; 4-(Dimethylamino)-3,5,10,12,12A-Pentahydroxy-6-Methyl-1,11-Dioxo-1,4,4A,5,5A,6,11,12A-Octahydrotetracene-2-Carboxamide Hydrate; 4-(Dimethylamino)-1,4,4 Alpha,5,5 Alpha,6,11,12 Alpha-Octahydro-3,5,10,12,12 Alpha-Pentahydroxy-6-Methyl-1,11-Dioxo-2-Naphthacenecarboxamide, Monohydrate; Doxycyeline Hcl; 2-[Amino(Hydroxy)Methylidene]-4-(Dimethylamino)-5,10,11,12A-Tetrahydroxy-6-Methyl-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione Hydrate
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Properties

Summary

Formula
C22H26N2O9
Molecular Mass
462.45000
Exact Mass
462.16400
PSA
190.85000
Logp
0.28840
IUPAC
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate
SMILES
CC1C2C(C3C(C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antibiotics

Chemical and Physical Properties

Melting Point
167-168℃
Boiling Point
819.4ºC at 760 mmHg
Flash Point
449.4ºC
Appearance
powder or crystals

Export information

UN No.
0.0
DG-Class
0.0
Risk Code
R36/37/38
Safety Label
Xi

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