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Methacycline Hydrochloride

CAT: 0572-TRC-M258785-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M258785-100MGSize:100 mg
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CAS Number
3963-95-9
Synonyms
(4S,4aR,5S,5aR,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide hydrochloride; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-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-methylene-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,12aS)- (9CI); 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5α,5aα,12aα)]-; 6-Demethyl-6-deoxy-5-hydroxy-6-methylenetetracycline hydrochloride; 6-Demethyl-6-deoxy-6-methylene-5-hydroxytetracycline hydrochloride; 6-Demethyl-6-deoxy-6-methyleneoxytetracycline monohydrochloride; 6-Methylene-5-hydroxytetracycline chlorohydrate; 6-Methylene-5-hydroxytetracycline hydrochloride; 6-Methyleneoxytetracycline hydrochloride; Adriamicina; Ciclobiotic; Germiciclin; Londomycin; Metacyclin hydrochloride; Metacycline hydrochloride; Metadomus; Methacycline hydrochloride; Methacycline monohydrochloride; Metilenbiotic; Optimycin; Physiomycine; Rindex; Doxycycline Monohydrate Imp. B (EP) as Hydrochloride; Doxycycline Hyclate Impurity B as Hydrochloride; Doxycycline Impurity B as Hydrochloride
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N
Molecular Formula
C22 H22 N2 O8 . Cl H
Molecular Weight
478.88
InChI
InChI=1S/C22H22N2O8.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;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1
Additionnal Information
IUPAC name: (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methacycline Hydrochloride

Methacycline Hydrochloride can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number3963-95-9
PubChem CID54685047
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;hydrochloride
Molecular FormulaC22H23ClN2O8
Molecular Weight478.9
Topological Polar Surface Area182
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
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.Cl
InChI
InChI=1S/C22H22N2O8.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;/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1
InChIKey
VXPSARQTYDZXAO-CCHMMTNSSA-N
Chemical Structure
2D Structure
2D structure of Methacycline Hydrochloride
CAS: 3963-95-9
CID: 54685047
Formula: C22H23ClN2O8
MW: 478.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight478.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass478.1142934
Monoisotopic Mass478.1142934
Topological Polar Surface Area182 Ų
Heavy Atom Count33
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 Count2
Compound Is CanonicalizedYes