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Meclocycline

CAT: 0804-HY-B1366ASize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1366ASize:1 mg
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Description
Meclocycline is a tetracycline antibiotic with broad-spectrum antibacterial activities, preventing skin bacterial infections such as acne vulgarisis[1].
CAS Number
2013-58-3
UNSPSC
12352005
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/meclocycline.html
Purity
94.84
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C(C1=O)=C(O)[C@@H](N(C)C)[C@]2([H])[C@@H](O)[C@]3([H])C(C4=C(C(C3=C(O)[C@@]21O)=O)C(O)=CC=C4Cl)=C)N
Molecular Formula
C22H21ClN2O8
Molecular Weight
476.86
References & Citations
[1]Fuoco D. Cytotoxicity induced by tetracyclines via protein photooxidation[J]. Advances in Toxicology, et al. Cytotoxicity induced by tetracyclines via protein photooxidation[J]. Advances in Toxicology, 2015, 2015.|[2]Gelmetti C. Local antibiotics in dermatology. Dermatol Ther. 2008 May-Jun;21 (3) :187-95.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
Tetracycline

Chemical Information

Meclocycline

Meclocycline is a member of tetracyclines.

CAS Number2013-58-3
PubChem CID54676539
IUPAC Name(4S,4aR,5S,5aR,12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Molecular FormulaC22H21ClN2O8
Molecular Weight476.9
XLogP0.9
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity1040
SMILES
CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O
InChI
InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,31,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1
InChIKey
RNIADBXQDMCFEN-IWVLMIASSA-N
Chemical Structure
2D Structure
2D structure of Meclocycline
CAS: 2013-58-3
CID: 54676539
Formula: C22H21ClN2O8
MW: 476.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.9
XLogP30.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass476.0986433
Monoisotopic Mass476.0986433
Topological Polar Surface Area182 Ų
Heavy Atom Count33
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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BA1207-5Meclocycline
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454272-01Meclocycline discontinued
164837Meclocycline Sulfosalicylate Salt

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