Doxycycline HCl 50mg

CAT: 0628-A10745-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A10745-50Size:50 mg

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CAS Number

10592-13-9

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 Number	10592-13-9
PubChem CID	54685920
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 Formula	C22H25ClN2O8
Molecular Weight	480.9
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	33
Formal Charge	0
Complexity	956

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

CAS: 10592-13-9

CID: 54685920

Formula: C22H25ClN2O8

MW: 480.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	480.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	480.1299435
Monoisotopic Mass	480.1299435
Topological Polar Surface Area	182 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	956
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Doxycycline HCl 50mg

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