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Doxycycline hydrochloride

CAT: 0063-19948073-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0063-19948073-5gSize:5 g
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CAS Number
10592-13-9
Molecular Formula
C22H24N2O8 · HCl
Molecular Weight
480.9
Formulation
C22H24N2O8 · HCl

Chemical Information

Doxycycline Hydrochloride

Doxycycline Hydrochloride is the hydrochloride salt form of doxycycline exhibiting antimicrobial activity. Doxycycline blocks binding of aminoacyl-tRNA to the mRNA-ribosome complex, thereby inhibiting protein synthesis. In addition, this agent has exhibited inhibition of collagenase activity. (NCI)

CAS Number10592-13-9
PubChem CID54685920
IUPAC Name(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
Molecular FormulaC22H25ClN2O8
Molecular Weight480.9
Topological Polar Surface Area182
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity956
SMILES
C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
InChI
InChI=1S/C22H24N2O8.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;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
InChIKey
PTNZGHXUZDHMIQ-CVHRZJFOSA-N
Chemical Structure
2D Structure
2D structure of Doxycycline Hydrochloride
CAS: 10592-13-9
CID: 54685920
Formula: C22H25ClN2O8
MW: 480.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass480.1299435
Monoisotopic Mass480.1299435
Topological Polar Surface Area182 Ų
Heavy Atom Count33
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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