CAS No.6153-64-6,Oxytetracycline dihydrate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6153-64-6
Name:	Oxytetracycline dihydrate
Article Data:	1

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

Synthetic route

: oxytetracycline hydrochloride acetate

: 6153-64-6
oxytetracycline hydrate

Conditions

Conditions	Yield
With concentrated ammonia In water

Total:102 Page 1 of 3 1 2 3 Next>>

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Specification

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