Product Name

  • Name

    Doxycycline hydrochloride

  • EINECS 234-198-7
  • CAS No. 10592-13-9
  • Article Data3
  • CAS DataBase
  • Density 1.63 g/cm3
  • Solubility H2O: 50 mg/mL, clear, yellow-green
  • Melting Point 195-201℃
  • Formula C22H24N2O8.HCl
  • Boiling Point 762.6 °C at 760 mmHg
  • Molecular Weight 480.902
  • Flash Point 415 °C
  • Transport Information
  • Appearance White crystalline powder
  • Safety 26-36/37
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 10592-13-9 (Doxycycline hydrochloride)
  • Hazard Symbols HarmfulXn; IrritantXi
  • Synonyms 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrochloride (8CI);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)- (9CI);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrochloride, [4S-(4a,4aa,5a,5aa,6a,12aa)]-;2-Naphthacenecarboxamide,4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,hydrochloride (6CI);6-Deoxyoxytetracycline hydrochloride;6-Desoxy-5-hydroxytetracycline hydrochloride;Deoxy-5-hydroxytetracyclinehydrochloride;Deoxyoxytetracycline hydrochloride;Doxylin;Idocyklin;Vibramycin hyclate;Vibramycin hydrochloride;a-6-Deoxy-5-hydroxytetracyclinehydrochloride;
  • PSA 181.62000
  • LogP 1.15470

Doxycycline hydrochloride Specification

1. Introduction of Doxycycline hydrochloride
Doxycycline hydrochloride, with the systematic name of (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride, is one kind of yellow crystalline powder. What's more, it is a synthetic tetracycline derivative with similar antimicrobial activity. And it is used in some areas for the treatment of chloroquine-resistant falciparum malaria.

2. Properties of Doxycycline hydrochloride
Physical properties about Doxycycline hydrochloride are: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 10; (7)#H bond donors: 7; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 181.62 Å2; (10)Flash Point: 421.4 °C; (11)Enthalpy of Vaporization: 118.07 kJ/mol; (12)Boiling Point: 773.2 °C at 760 mmHg; (13)Vapour Pressure: 3.72E-25 mmHg at 25°C.

3. Structure Descriptors of Doxycycline hydrochloride
You could convert the following datas into the molecular structure:
(1)SMILES: Cl.CN(C)[C@@H]3C(\O)=C(\C(N)=O)C(=O)[C@@]4(O)C(/O)=C2/C(=O)c1c(cccc1O)[C@H](C)[C@H]2[C@H](O)[C@@H]34
(2)InChI: InChI=1/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
(3)InChIKey: RUYHIJHUVHIMIR-CVHRZJFOBJ

4. Toxicity of Doxycycline hydrochloride

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 100mg/kg (100mg/kg)   Drugs in Japan Vol. -, Pg. 840, 1995.
dog LD50 oral > 500mg/kg (500mg/kg)   Drugs in Japan Vol. -, Pg. 714, 1990.
mouse LD50 intraperitoneal 179mg/kg (179mg/kg)   Drugs in Japan Vol. -, Pg. 714, 1990.
mouse LD50 intravenous 201mg/kg (201mg/kg)   Drugs in Japan Vol. -, Pg. 840, 1995.
mouse LD50 oral 1890mg/kg (1890mg/kg)   Drugs in Japan Vol. 6, Pg. 505, 1982.
mouse LD50 subcutaneous 700mg/kg (700mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 8, Pg. 1447, 1980.
rat LD50 intraperitoneal 714mg/kg (714mg/kg)   Drugs in Japan Vol. -, Pg. 840, 1995.
rat LD50 intravenous 137mg/kg (137mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 8, Pg. 1447, 1980.
rat LD50 oral 1700mg/kg (1700mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 8, Pg. 1447, 1980.
rat LD50 subcutaneous 700mg/kg (700mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 8, Pg. 1447, 1980.

5. Safety Information of Doxycycline hydrochloride
When you are using Doxycycline hydrochloride, please be cautious about it as the following:
Doxycycline hydrochloride is harmful if swallowed. It is irritating to eyes, respiratory system and skin. Whenever you will contact it, please wear suitable protective clothing and gloves. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

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