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Methacycline

CAT: 1596-AR-M01519-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01519-06Size:250 Units
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CAS Number
914-00-1
Synonyms
(4S,4aR,5S,5aR,12aR) -4- (dimethylamino) -1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide; Methylenecycline; Tri-methacycline; Methacyclinum; 6-Methyleneoxytetracycline; Metacyclinum; Bialatan; Metaciclina; 6-Methylene-5-oxytetracycline; Methacycline base; 6-Methylene-5-hydroxytetracycline; Methacycline amphoteric
Molecular Formula
C22H22N2O8
Molecular Weight
442.42
API Name
Methacycline

Chemical Information

Methacycline

Methacycline is a tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6. It has a role as an antibacterial drug. It is a tertiary alpha-hydroxy ketone, a primary carboxamide and a member of tetracyclines.

CAS Number914-00-1
PubChem CID54675785
IUPAC Name(4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Molecular FormulaC22H22N2O8
Molecular Weight442.4
XLogP0.3
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity998
SMILES
CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O
InChI
InChI=1S/C22H22N2O8/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/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31)/t10-,14-,15+,17+,22+/m1/s1
InChIKey
XIYOPDCBBDCGOE-IWVLMIASSA-N
Chemical Structure
2D Structure
2D structure of Methacycline
CAS: 914-00-1
CID: 54675785
Formula: C22H22N2O8
MW: 442.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.4
XLogP30.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass442.13761566
Monoisotopic Mass442.13761566
Topological Polar Surface Area182 Ų
Heavy Atom Count32
Formal Charge0
Complexity998
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

CatalogName
M051-5MGMethacycline
B1971-SMethacycline HCl
M003-100MGMethacycline hydrochloride
HY-B0449-01Methacycline (hydrochloride)

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