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Oxytetracycline hydrochloride(CAS No. 2058-46-0)

Oxytetracycline hydrochloride C22H25ClN2O9 (cas 2058-46-0) Molecular Structure

2058-46-0 Structure

Identification and Related Records

【Name】
Oxytetracycline hydrochloride
【CAS Registry number】
2058-46-0
【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-,monohydrochloride, [4S-(4a,4aa,5a,5aa,6b,12aa)]-
1-Dimethylamino-1,4,6,11,12,13,14,18-octahydro-2,5,7,11,12,14-hexahydroxy-4,6-dioxo-11-methylnaphthacene-3-carbonamidehydrochloride
5-Hydroxytetracycline hydrochloride
5-Hydroxytetracyclinemonohydrochloride
Alamycin
Aquacycline
Duphacycline
Engemycin
Gynamousse
Mepatar
Oxy WS
Oxy-Dumocyclin
Oxybiotic
Oxycyclin
Oxypan
Oxytet
Oxytetrin
TM 5
Terraject
Terramycin hydrochloride
Tetra-Tabilinen
Tetran hydrochloride
Toxinal
Vetilmicin
【EINECS(EC#)】
218-161-2
【Molecular Formula】
C22H25ClN2O9 (Products with the same molecular formula)
【Molecular Weight】
496.9
【Inchi】
InChI=1/C22H24N2O9.ClH/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);1H/t12?,13?,14?,17?,21-,22?;/m1./s1
【Canonical SMILES】
CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O
【Isomers smiles】
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C
(C4=C1C=CC=C4O)O)O)N(C)C)O)O
【MOL File】
2058-46-0.mol

Chemical and Physical Properties

【Appearance】
Yellow crystalline solid
【Density】
1.71 g/cm3
【Melting Point】
180℃
【Boiling Point】
839.6 °C at 760 mmHg
【Vapour】
2.17E-30mmHg at 25°C
【Flash Point】
461.6 °C
【Water】
>100 g/L
【Solubilities】
>100 g/L in water
【Color/Form】
yellow
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29413000
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:460.43396 [g/mol]
Molecular Formula:C22H24N2O9
XLogP3:-0.9
H-Bond Donor:7
H-Bond Acceptor:11
Rotatable Bond Count:1
Tautomer Count:168
Exact Mass:460.14818
MonoIsotopic Mass:460.14818
Topological Polar Surface Area:202
Heavy Atom Count:33
Formal Charge:0
Complexity:1000
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:7
Feature 3D Anion Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.6
CID Conformer Count:5

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R36;R63
【Safety Statements 】
S26;S36/37/39
【Safety】

Hazard Codes:?HarmfulXn,IrritantXi
Risk Statements: 63-36-36/37/38?
R36:Irritating to eyes.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R63:Possible risk of harm to the unborn child.
Safety Statements: 36/37/39-26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

【Specification】

?Oxytetracycline hydrochloride , its cas register number is 2058-46-0. It also can be called 5-Hydroxytetracycline hydrochloride ; Oxytetracycline HCl ; and [4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition,? Oxytetracycline hydrochloride (CAS NO.2058-46-0)?is sensitive to light and air, and may discolor on exposure to air and light. It is not compatible with strong oxidizing agents, bases, and you must not take it with incompatible materials, light, exposure to air, exposure to moist air or water. And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases. hydrogen chloride, carbon monoxide, carbon dioxide.

Use and Manufacturing

【Usage】

Antibiotic substance isolated from the elaboration products of the actinomycete, Streptomyces rimosus, grown on a suitable medium. Antibacterial

Biomedical Effects and Toxicity

【Therapeutic Uses】
Antibiotic substance isolated from the elaboration products of the actinomycete, Streptomyces rimosus, grown on a suitable medium. Antibacterial

Supplier Location

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