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Minocycline HCl

CAT: 1596-AR-M01938-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01938-01Size:50 Units
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CAS Number
13614-98-7
Synonyms
(4S,4aS,5aR,12aR) -4,7-bis (dimethylamino) -1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamidehydrochloride; [4S- (4?,4a?,5a?,12a?) ]-4,7-Bis (dimethylamino) -1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydro-1,11-dioxo-2-naphthacenecarboxamide Hydrochloride; Arestin; Dynacin; Klinomycin
Molecular Formula
1C23H27N3O7. HCl
Molecular Weight
457.49 36.46
API Name
Minocycline

Chemical Information

Minocycline hydrochloride

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

CAS Number13614-98-7
PubChem CID54685925
IUPAC Name(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
Molecular FormulaC23H28ClN3O7
Molecular Weight493.9
Topological Polar Surface Area165
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity971
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl
InChI
InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1
InChIKey
WTJXVDPDEQKTCV-VQAITOIOSA-N
Chemical Structure
2D Structure
2D structure of Minocycline hydrochloride
CAS: 13614-98-7
CID: 54685925
Formula: C23H28ClN3O7
MW: 493.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass493.1615779
Monoisotopic Mass493.1615779
Topological Polar Surface Area165 Ų
Heavy Atom Count34
Formal Charge0
Complexity971
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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