Products for Research Use Only
RegisterLogin

Demeclocycline

CAT: 0607-BA1062-100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA1062-100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
127-33-3
Form
A solid
Molecular Formula
C21H21ClN2O8
Molecular Weight
464.85
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Demeclocycline

Demeclocycline is tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. It is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective. It has a role as a geroprotector, an aquaretic and an antibacterial drug.

CAS Number127-33-3
PubChem CID54680690
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
Molecular FormulaC21H21ClN2O8
Molecular Weight464.9
XLogP0.7
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count32
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
InChI
InChI=1S/C21H21ClN2O8/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)/t6-,7-,14-,15-,21-/m0/s1
InChIKey
GUXHBMASAHGULD-SEYHBJAFSA-N
Chemical Structure
2D Structure
2D structure of Demeclocycline
CAS: 127-33-3
CID: 54680690
Formula: C21H21ClN2O8
MW: 464.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.9
XLogP30.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass464.0986433
Monoisotopic Mass464.0986433
Topological Polar Surface Area182 Ų
Heavy Atom Count32
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
D031-5MGDemeclocycline
007918Demeclocycline Hydrochloride
MBS3840270-01Demeclocycline HCl
TRC-C230725-25MGDemeclocycline Oxide
HY-121268ADemeclocycline (calcium)
HY-17560-01Demeclocycline (hydrochloride)

Popular Products