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Doxycycline monohydrate

Doxycycline monohydrate structure

CAS No:
17086-28-1
Formula:
C22H24N2O8.H2O
Chemical Name:
Doxycycline monohydrate
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-,hydrate (1:1),(4S,4aR,5S,5aR,6R,12aS)-;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrate;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrate,[4S-(4α,4aα,5α,5aα,6α,12aα)]-;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrate,(4S,4aR,5S,5aR,6R,12aS)-;6-Deoxy-5-oxytetracycline monohydrate;Doxycycline monohydrate;Oracea;Vibravet;Doxyhexal;1397200-45-1
Categories:
Active Pharmaceutical Ingredients > Antibiotics

Description

Yellow, crystalline powder.ChEBI: The monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary isease (COPD), and adult periodontitis.

Doxycycline monohydrate is the monohydrate form of doxycycline. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. It has a role as an antibacterial drug. It contains a doxycycline.|Doxycycline is a Tetracycline-class Drug. The chemical classification of doxycycline is Tetracyclines.|Doxycycline is a synthetic, broad-spectrum tetracycline antibiotic exhibiting antimicrobial activity. Doxycycline binds to the 30S ribosomal subunit, possibly to the 50S ribosomal subunit as well, thereby blocking the binding of aminoacyl-tRNA to the mRNA-ribosome complex. This leads to an inhibition of protein synthesis. In addition, this agent has exhibited inhibition of collagenase activity.|A synthetic tetracycline derivative with similar antimicrobial activity.

Doxycycline monohydrate Basic Attributes

Molecular Weight：

462.45

Exact Mass：

462.163818

EC Number：

1312995-182-4

UNII：

N12000U13O

NCI Thesaurus Code：

C457

HScode：

29413000

Characteristics

PSA：

183

XLogP3：

0.28840

Melting Point：

167-168℃

Boiling Point：

819.4ºC at 760 mmHg

Flash Point：

449.4ºC

Water Solubility：

soluble in ethanol or methanol. Sparingly soluble in water.soluble in dilute acids, alkali hydroxides and dimethyl sulfoxide.DMSO: soluble 1mg/mL

Storage Conditions：

-20°C

Safety Information

wgk germany：

hazard class code：

36/37/38-22-63

safety instructions：

26-36/37

Marks：

Xi,Xn

Precautionary statement(s)：

P201, P202, P260, P261, P263, P264, P270, P271, P272, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (42.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P272, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 147 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)|Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)

MeSH Entry Terms：

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-

Doxycycline monohydrate Use and Manufacturing

Uses

antibacterial

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:462.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:462.16383041
Monoisotopic Mass:462.16383041
Topological Polar Surface Area:183
Heavy Atom Count:33
Complexity:956
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

Ammonium hydroxide

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