9-Amino minocycline hydrochloride

Iupac Name：(4S,4aS,5aR,12aR)-9-amino-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride

CAS No.: 149934-21-4

Molecular Weight：508.956

Modify Date.: 2023-05-29 12:48

Introduction: Dark green powder View more+

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1. Names and Identifiers

1.1 Name: 9-Amino minocycline hydrochloride
1.2 Synonyms: (4S,12aS)-9-Amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) (4S,4aS,5aR,12aR)-9-amino-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)-9-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochloride (1:1) (4S,4aS,5aR,12aS)-9-Amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) (4S,4aS,5aR,12aS)-9-Amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1) 2-Naphthacenecarboxamide, 9-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,12aS)-, hydrochloride (1:1) 2-Naphthacenecarboxamide, 9-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, hydrochloride (1:1) 2-Naphthacenecarboxamide, 9-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, hydrochloride (1:1) 9-Amino Minocycline 9-Amino minocycline disulfate 9-Amino Minocycline HCl 9-Amino-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1) 9-Aminominocycline HCl 9-Aminominocycline hydrochloride 9-AMINOMINOCYCLINE SULPHATE 9-aminominocycline sulphate (intermediates of tigecycline)

1.3 CAS No.: 149934-21-4

1.4 CID: 54735209

1.5 EINECS(EC#): 604-710-7

1.6 Molecular Formula: C23H29ClN4O7 (isomer)

1.7 Inchi: InChI=1S/C23H28N4O7.ClH/c1-26(2)12-7-11(24)17(28)14-9(12)5-8-6-10-16(27(3)4)19(30)15(22(25)33)21(32)23(10,34)20(31)13(8)18(14)29;/h7-8,10,16,28-29,32,34H,5-6,24H2,1-4H3,(H2,25,33);1H/t8-,10-,16-,23-;/m0./s1

1.8 InChkey: MQRUQMWLTBRONP-KBTHSJHISA-N

1.9 Canonical Smiles: CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N)N(C)C.Cl

1.10 Isomers Smiles: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N)N(C)C.Cl

2. Properties

2.1 Density: 1.6±0.1 g/cm3 (Predicted)

2.1 Refractive index: 1.745 (Predicted)

2.1 Precise Quality: 508.17200

2.1 PSA: 190.65000

2.1 logP: 1.85230

2.1 Chemical Properties: Dark green powder 9-Amino minocycline hydrochlorideSupplier

2.2 Color/Form: Powder

2.3 StorageTemp: -20°C

3. Safety and Handling

3.1 Symbol: GHS07

3.1 Signal Word: Warning

3.1 Risk Statements: 24/25

3.1 Safety Statements: 24/25

3.1 Hazard Declaration: H317

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P280

3.1 Specification: 9-Amino-minocycline hydrochloride , its cas register number is 149934-21-4. It also can be called (4S,4aS,5aR,12aS)-9-Amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochloride (1:1) ; 9-amino minocycline hydrochloride ; 9-Amino Minocycline ; 9-aminominocycline sulphate (intermediates of tigecycline) ; 9-Aminominocycline sulphate ; 9-Amino minocycline disulfate .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. Other Information

5.0 Chemical Properties: Dark green powder

6. Computational chemical data

Molecular Weight: 508.956g/mol
Molecular Formula: C₂₃H₂₉ClN₄O₇
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 508.1724770
Monoisotopic Mass: 508.1724770
Complexity: 1010
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 7
Hydrogen Bond Acceptor Count: 10
Topological Polar Surface Area: 191
Heavy Atom Count: 35
Defined Atom Stereocenter Count: 4
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADceB7uAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADWzBmAQyxoNAAgCIAqVSUAKCAAAhIgAAiAHNbMgLJz7a0POEcAhn8BFJ2Qe+zvCuiEABQAQaEADQgAaACDQgAAAAAAAAAA==

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