Minocycline hydrochloride

CAS Number: 13614-98-7

Molecular Mass: 493.9 g/mol

Formula: C₂₃H₂₈ClN₃O₇

Smiles: CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl

Synonymes:

Minocycline hydrochloride, MINOCYCLINE HYDROCHLORIDE, 13614-98-7, Minocycline HCl, Arestin, Minomycin, Minocin, Solodyn, Dynacin, Periocline, Ximino, Vectrin, [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride, Minocycline (hydrochloride), Minomax, (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride, MFCD00083669, Mynocine hydrochloride, Minocycline (as hydrochloride), (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, DTXSID8044545, NSC 141993, 4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride, 0020414E5U, Tri-mino, NSC-141993, C23H28ClN3O7, DTXCID6024545, Acnez, Minocycline, Hydrochloride, Minomycin chloride, (4S-(4alpha,4aalpha,5aalpha,12aalpha))-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride, EINECS 237-099-7, Minocycline hydrochloride (internal use), Lederderm, Mynocine, UNII-0020414E5U, NCGC00096006-01, Prestwick_626, Arestin (TN), Dynacin (TN), Minocin (TN), Solodyn (TN), Minocycline hydrochloride [USP:JAN], 7-Dimethylamino-6-demethyl-6-deoxytetracycline, HCl, Minocyclinhydrochlorid, AMZEEQ, EMROSI, MINOLIRA, ZILXI, minomycin hydrochloride, SCHEMBL2537, CAS-13614-98-7, Minocycline hydrochloride CRS, 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5aalpha,12aalpha))-, MLS002548863, SPECTRUM1500414, FXFM-244, orb1309771, orb3139885, CHEMBL1200881, CHEMBL4576719, SCHEMBL27275823, MSK4104, HMS1568P12, Pharmakon1600-01500414, [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride, [4S-(4alpha,4aalpha,5aalpha,12aalpha)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide monohydrochloride, Tox21_111250, Tox21_113183, Tox21_301590, CCG-40107, EBC-99036, HB4617, HY-17412R, NSC757120, s4226, MINOCYCLINE HYDROCHLORIDE [MI], Minocycline hydrochloride, crystalline, AKOS015951312, Minocycline for system suitability CRS, Minocycline hydrochloride (JP18/USP), Tox21_111250_1, AM11587, CS-1256, Minocycline (hydrochloride) (Standard), MINOCYCLINE HYDROCHLORIDE [JAN], NC00460, NSC-757120, MINOCYCLINE HYDROCHLORIDE [MART.], MINOCYCLINE HYDROCHLORIDE [VANDF], NCGC00178854-03, NCGC00255988-01, 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride, AC-22362, AK183886, AS-75306, DA-75552, HY-17412, MINOCYCLINE HYDROCHLORIDE [USP-RS], MINOCYCLINE HYDROCHLORIDE [WHO-DD], PD003090, SMR001906766, SY007836, M2288, NS00076430, D00850, MINOCYCLINE HYDROCHLORIDE [ORANGE BOOK], SBI-0051449.0002, MINOCYCLINE HYDROCHLORIDE [USP MONOGRAPH], SR-01000075625, SR-01000075625-1, Q27104777, Minocycline hydrochloride, European Pharmacopoeia (EP) Reference Standard, Minocycline Hydrochloride, Pharmaceutical Secondary Standard, Certified Reference Material, Minocycline hydrochloride, United States Pharmacopeia (USP) Reference Standard, (4S,12aS,4aS,5aR)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide Hydrochloride, (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, (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide--hydrogen chloride (1/1), (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamidehydrochloride, 2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, MONOHYDROCHLORIDE, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,12A.ALPHA.))-

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	273.15	-	2.805	[142]
1-Propanol	278.15	-	3.335	[142]
1-Propanol	283.15	-	3.926	[142]
1-Propanol	288.15	-	4.503	[142]
1-Propanol	293.15	-	5.102	[142]
1-Propanol	298.15	-	5.781	[142]
1-Propanol	303.15	-	6.454	[142]
1-Propanol	308.15	-	7.229	[142]
1-Propanol	313.15	-	7.97	[142]
Acetonitrile	273.15	-	0.174	[142]
Acetonitrile	278.15	-	0.2278	[142]
Acetonitrile	283.15	-	0.2825	[142]
Acetonitrile	288.15	-	0.3403	[142]
Acetonitrile	293.15	-	0.4028	[142]
Acetonitrile	298.15	-	0.4748	[142]
Acetonitrile	303.15	-	0.5531	[142]
Acetonitrile	308.15	-	0.6285	[142]
Acetonitrile	313.15	-	0.7118	[142]
Ethanol	273.15	-	6.121	[142]
Ethanol	278.15	-	6.993	[142]
Ethanol	283.15	-	7.968	[142]
Ethanol	288.15	-	8.94	[142]
Ethanol	293.15	-	10.2	[142]
Ethanol	298.15	-	11.38	[142]
Ethanol	303.15	-	12.74	[142]
Ethanol	308.15	-	14.26	[142]
Ethanol	313.15	-	15.8	[142]
Ethyl acetate	273.15	-	0.0244	[142]
Ethyl acetate	278.15	-	0.03285	[142]
Ethyl acetate	283.15	-	0.04278	[142]
Ethyl acetate	288.15	-	0.05437	[142]
Ethyl acetate	293.15	-	0.06714	[142]
Ethyl acetate	298.15	-	0.08073	[142]
Ethyl acetate	303.15	-	0.09562	[142]
Ethyl acetate	308.15	-	0.1123	[142]
Ethyl acetate	313.15	-	0.1291	[142]
Isopropanol	273.15	-	0.3676	[142]
Isopropanol	278.15	-	0.4503	[142]
Isopropanol	283.15	-	0.535	[142]
Isopropanol	288.15	-	0.6318	[142]
Isopropanol	293.15	-	0.7361	[142]
Isopropanol	298.15	-	0.8731	[142]
Isopropanol	303.15	-	1.015	[142]
Isopropanol	308.15	-	1.175	[142]
Isopropanol	313.15	-	1.33	[142]
Methanol	273.15	-	14.25	[142]
Methanol	278.15	-	16.2	[142]
Methanol	283.15	-	18.29	[142]
Methanol	288.15	-	20.52	[142]
Methanol	293.15	-	22.72	[142]
Methanol	298.15	-	25.39	[142]
Methanol	303.15	-	28.5	[142]
Methanol	308.15	-	31.2	[142]
Methanol	313.15	-	34.38	[142]

Molecule 3D descriptors

Descriptor	Value
PMI1	2135.7931
PMI2	6623.5551
PMI3	7500.0316
NPR1	0.2848
NPR2	0.8831
RadiusOfGyration	4.0569
InertialShapeFactor	0.0004
Eccentricity	0.9586
Asphericity	0.3759
SpherocityIndex	0.2565
PBF	1.0781