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Demeclocycline HCl

CAT: 0957-S4279-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S4279-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64-73-3
Synonyms
Demeclocycline hydrochloride
Target
Bacterial
Applications
Microbiology
Smiles
CN (C) C1C2CC3C (C4=C (C=CC (=C4C (=C3C (=O) C2 (C (=C (C1=O) C (=O) N) O) O) O) O) Cl) O.Cl
Molecular Formula
C21H21ClN2O8 .HCl
Additionnal Information
Demeclocycline HCl (Demeclocycline hydrochloride) is a tetracycline antibiotic via inhibition of protein synthesis by bacteria, used for the treatment of bacterial infections.
Storage Conditions
2 years -80 in solvent

Chemical Information

Demeclocycline hydrochloride

Demeclocycline Hydrochloride (internal use) can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number64-73-3
PubChem CID54686764
IUPAC Name(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
Molecular FormulaC21H22Cl2N2O8
Molecular Weight501.3
Topological Polar Surface Area182
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity961
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl
InChI
InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
InChIKey
OAPVUSSHCBRCOL-KBHRXELFSA-N
Chemical Structure
2D Structure
2D structure of Demeclocycline hydrochloride
CAS: 64-73-3
CID: 54686764
Formula: C21H22Cl2N2O8
MW: 501.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass500.0753211
Monoisotopic Mass500.0753211
Topological Polar Surface Area182 Ų
Heavy Atom Count33
Formal Charge0
Complexity961
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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