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Methacycline hydrochloride

CAT: 0543-M003-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0543-M003-1GSize:1 g
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CAS Number
3963-95-9
Applications
Microbiology.
Purity
>98% by HPLC
Molecular Formula
C22H22N2O8• HCl
Molecular Weight
478.88
Shipping Conditions
Ambient
Storage Conditions
≤30°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...
View on PubChemRaw 3D data
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

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