Demeclocycline hydrochloride
Demeclocycline hydrochloride structure
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Common Name | Demeclocycline hydrochloride | ||
|---|---|---|---|---|
| CAS Number | 64-73-3 | Molecular Weight | 501.314 | |
| Density | N/A | Boiling Point | 795.9ºC at 760 mmHg | |
| Molecular Formula | C21H22Cl2N2O8 | Melting Point | >245°C (dec.) | |
| MSDS | Chinese USA | Flash Point | 435.2ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Demeclocycline hydrochlorideDemeclocycline Hcl is a tetracycline antibiotic; is an antibiotic in the treatment of Lyme disease, acne, and bronchitis. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | demeclocycline hydrochloride |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Demeclocycline Hcl is a tetracycline antibiotic; is an antibiotic in the treatment of Lyme disease, acne, and bronchitis. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 795.9ºC at 760 mmHg |
|---|---|
| Melting Point | >245°C (dec.) |
| Molecular Formula | C21H22Cl2N2O8 |
| Molecular Weight | 501.314 |
| Flash Point | 435.2ºC |
| Exact Mass | 500.075317 |
| PSA | 181.62000 |
| LogP | 1.76720 |
| InChIKey | OAPVUSSHCBRCOL-KBHRXELFSA-N |
| SMILES | CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12.Cl |
| Storage condition | −20°C |
| Water Solubility | H2O: 20 mg/mL, clear, very deep greenish yellow |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H317 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R43 |
| Safety Phrases | S36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | QI7700000 |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Pre-microRNA binding aminoglycosides and antitumor drugs as inhibitors of Dicer catalyzed microRNA processing.
Bioorg. Med. Chem. Lett. 22 , 1709-11, (2012) Over-expressions of miRNAs are being increasingly linked with many diseases including different types of cancer. In this study, the role of some known small molecular therapeutics has been investigate... |
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Developing structure-activity relationships for the prediction of hepatotoxicity.
Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ... |
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A predictive ligand-based Bayesian model for human drug-induced liver injury.
Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL1266185
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Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
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Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
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Name: uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
Source: Burnham Center for Chemical Genomics
Target: cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id: SBCCG-A764-CF-PAF-Primary-Assay
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ant...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_ANT_FLUO8_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, hydrochloride (1:1) |
| Ledermycin hydrochloride |
| EINECS 200-592-2 |
| Demeclocycline hydrochloride |
| (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide,hydrochloride |
| (4S,4aS,5aS,6S,12aS)-7-chloro-4-(diméthylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotétracène-2-carboxamide chlorhydrate |
| demeclocycline hydrochloride [INN_en] |
| (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) |
| (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride |
| (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1) |
| (4S,4aS,5aS,6S,12aS)-7-Chlor-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-carboxamidhydrochlorid |
| 2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, monohydrochloride |
| MFCD00864922 |
| Demeclocycline (hydrochloride) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of demeclocycline hydrochloride? |
| A: Water solubility of demeclocycline hydrochloride: H2O: 20 mg/mL, clear, very deep greenish yellow. |
| Q: What are the uses of demeclocycline hydrochloride? |
| A: Main uses of demeclocycline hydrochloride: Demeclocycline Hcl is a tetracycline antibiotic; is an antibiotic in the treatment of Lyme disease, acne, and bronchitis. |
| Q: What is the English name of demeclocycline hydrochloride? |
| A: The English name of demeclocycline hydrochloride is demeclocycline hydrochloride. |
| Q: What is the InChIKey of demeclocycline hydrochloride? |
| A: InChIKey of demeclocycline hydrochloride is OAPVUSSHCBRCOL-KBHRXELFSA-N. |
| Q: What is the safety information for demeclocycline hydrochloride? |
| A: Safety information for demeclocycline hydrochloride: S36/37. |
| Q: What is the molecular weight of demeclocycline hydrochloride? |
| A: Molecular weight of demeclocycline hydrochloride is 501.314. |
| Q: What are the storage conditions for demeclocycline hydrochloride? |
| A: Storage conditions for demeclocycline hydrochloride: −20°C. |
| Q: What is the molecular formula of demeclocycline hydrochloride? |
| A: Molecular formula of demeclocycline hydrochloride is C21H22Cl2N2O8. |
| Q: What is the polar surface area (PSA) of demeclocycline hydrochloride? |
| A: Polar surface area (PSA) of demeclocycline hydrochloride is 181.62000. |
| Q: What is the SMILES notation of demeclocycline hydrochloride? |
| A: SMILES notation of demeclocycline hydrochloride is CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(O)C3CC12.Cl. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |