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| CAS No.: | 992-21-2 |
|---|---|
| Name: | lymecycline |
| Molecular Structure: | |
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| Formula: | C29H38 N4 O10 |
| Molecular Weight: | 602.642 |
| Synonyms: | L-Lysine,N6-[[[[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl]carbonyl]amino]methyl]-,[4S-(4a,4aa,5aa,6b,12aa)]-;Lysine,N6-[[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]-(7CI);Lysine,N6-[[4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]-,L- (8CI);(+)-N-(5-Amino-5-carboxypentylaminomethyl)-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,lysinemethylene deriv.;Armyl;Ciclisin;Ciclolysal;Ciclolysine;Infaciclina;Lisinbiotic;Lisinciclina;Lymecycline;Mucomycin;N-Lysinomethyltetracycline;N2-[[(+)-5-Amino-5-carboxypentylamino]methyl]tetracycline;N6-[[4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]lysine;Tertamyl;Tetracycline-L-methylenelysine;Tetracyclinemethylenelysine;Tetralisal;Tetralysal;Tetramyl;Vebicyclysal; |
| EINECS: | 213-592-2 |
| Density: | 1.53 |
| Melting Point: | 192.5°C |
| Boiling Point: | 840.5°C at 760 mmHg |
| Flash Point: | 462.1°C |
| Safety: | Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 242.98000 |
| LogP: | 1.02790 |
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Toxicity Data With Reference
| 1. | ivn-mus LD50:181 mg/kg | KPJBAR Kalikasan. The Philippine Journal of Biology. 2 (1970),333. |
Safety Profile
Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx.
Specification
1. Introduction of Lymecycline
Lymecycline is one kind of solid. The IUPAC Name of this chemical is 2-[[[(Z)-[(4aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methylamino]-6-amino-hexanoic acid. Besides, Lymecycline belongs to Antibacterial;Amines;Intermediates & Fine Chemicals;Pharmaceuticals;Isotope Labelled Compounds. In addition, its Classification Code is Anti-Bacterial Agents; Anti-Infective Agents; Drug / Therapeutic Agent. Lymecycline can soluble (at all physiological pH values).
2. Properties of Lymecycline
Physical properties about Lymecycline are:
(1)Index of Refraction: 1.693; (2)Surface Tension: 91.5 dyne/cm; (3)Density: 1.53 g/cm3; (4)Flash Point: 462.1 °C; (5)Enthalpy of Vaporization: 128.01 kJ/mol; (6)Boiling Point: 840.5 °C at 760 mmHg; (7)Vapour Pressure: 5.37E-30 mmHg at 25°C.
3. Structure Descriptors of Lymecycline
(1)InChI: InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14?,15-,16-,21-,28+,29-/m0/s1
(2)InChIKey InChIKey=AHEVKYYGXVEWNO-CCZWQWCCSA-N
(3)Smiles: C1[C@@H]2[C@@](C(=C3C(c4c(cccc4[C@@]([C@@H]13)(C)O)O)=O)O)(C(C(C(NCNCCCC[C@H](N)C(O)=O)=O)=C([C@H]2N(C)C)O)=O)O
4. Toxicity of Lymecycline
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 253mg/kg (253mg/kg) | British Medical Journal. Vol. 2, Pg. 106, 1964. | |
| mouse | LD50 | intravenous | 181mg/kg (181mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 333, 1970. |
5. Physical Properties of Lymecycline
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | -3.220 | (none) | EST | |
| Atmospheric OH Rate Constant | 4.11E-10 | cm3/molecule-sec | 25 | EST |
6. Uses of Lymecycline
Labelled Lymecycline is a semi-synthetic antibiotic related to Tetracycline (T291400). It is used as antibacterial. In other words, Lymecycline is a tetracycline broad-spectrum antibiotic.