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CAS No.: | 6153-64-6 |
---|---|
Name: | Oxytetracycline dihydrate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C22H24N2O9.2(H2O) |
Molecular Weight: | 496.471 |
Synonyms: | 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,dihydrate (8CI);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,dihydrate, [4S-(4a,4aa,5a,5aa,6b,12aa)]-;5-Hydroxytetracycline dihydrate;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-; |
EINECS: | 209-271-1 |
Melting Point: | 181-182 °C |
Boiling Point: | 951.8 °C at 760 mmHg |
Flash Point: | 529.4 °C |
Solubility: | slightly soluble in water |
Appearance: | Yellow crystalline powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 63-36/37/38 |
Safety: | 22-24/25-36/37/39-26 |
PSA: | 220.31000 |
LogP: | -0.67190 |
oxytetracycline hydrate
Conditions | Yield |
---|---|
With concentrated ammonia In water |
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The Oxytetracycline dihydrate, with the CAS registry number 6153-64-6, is also known as 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,hydrate (1:2), (4S,4aR,5S,5aR,6S,12aS)-. It belongs to the product categories of Finished Medicine; Antibacterial; Antibiotics; Antibiotics by Application; Antibiotics N-SAntibiotics; Chemical Structure Class; Genetic Marker Selection Antibiotics; Interferes with Protein Synthesis Spectrum of Activity; L - Z Antibiotics; Mechanism of Action; Tetracyclines; Amines; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 209-271-1. This chemical's molecular formula is C22H24N2O9.2(H2O) and molecular weight is 496.46. What's more, its systematic name is (4S,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide dihydrate. Its classification code is Antibacterial. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, light and water.
Physical properties of Oxytetracycline dihydrate are: (1)# of Rule of 5 Violations: 2; (2)ACD/LogD (pH 5.5): -6.80; (3)ACD/LogD (pH 7.4): -7.26; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 13; (9)#H bond donors: 12; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 201.85 Å2; (12)Flash Point: 529.4 °C; (13)Enthalpy of Vaporization: 145.14 kJ/mol; (14)Boiling Point: 951.8 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. It has a possible risk of harm to the unborn child. You should not breathe dust. When using it, you must avoid contact with eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O.O.CN(C)[C@@H]3C(\O)=C(\C(N)=O)C(=O)[C@@]4(O)C(/O)=C2/C(=O)c1c(cccc1O)[C@@](C)(O)[C@H]2[C@H](O)[C@@H]34
(2)Std. InChI: InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2*1H2/t12-,13-,14+,17+,21-,22+;;/m1../s1
(3)Std. InChIKey: SRRPEXWCHWWJOC-JEKSYDDFSA-N