CAS 153621-80-8

2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2)

Description:

2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2), with CAS number 153621-80-8, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amides, hydroxyls, and nitro groups. This compound is notable for its potential biological activity, often studied in the context of medicinal chemistry and pharmacology. The presence of dimethylamino groups suggests it may exhibit basic properties, influencing its solubility and reactivity. The sulfate moiety indicates that it may have enhanced solubility in aqueous environments, which is crucial for biological applications. Additionally, the stereochemistry denoted by the specific configuration (4S, 4aS, 5aR, 12aS) implies that the compound may exhibit chirality, potentially affecting its interaction with biological targets. Overall, this compound's unique structural features make it a subject of interest for further research in drug development and therapeutic applications.

Formula: C₂₃H₂₆N₄O₉

InChI: InChI=1S/C23H26N4O9.H2O4S/c1-25(2)11-7-12(27(35)36)17(28)14-9(11)5-8-6-10-16(26(3)4)19(30)15(22(24)33)21(32)23(10,34)20(31)13(8)18(14)29;1-5(2,3)4/h7-8,10,16,28,30-31,34H,5-6H2,1-4H3,(H2,24,33);(H2,1,2,3,4)/t8-,10-,16-,23-;/m0./s1

InChI key: InChIKey=GEMWHDLVDQRCCU-KBTHSJHISA-N

SMILES: O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N(C)C)C=C(N(=O)=O)C4O)[H])[H].S(=O)(=O)(O)O

Synonyms:

• 9-Nitrominocycline disulfate
• 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, [4S-(4α,4aα,5aα,12aα)]-, sulfate (1:2) (salt)
• 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-, (4S,4aS,5aR,12aS)-, sulfate (1:2)
• (4S,4aS,5aR,12aS)-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-2-naphthacenecarboxamide Sulfate Salt
• 9-Nitro minocycline sulfate [4S-(4α,12aalpha)-9-nitro]-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide sulfate
• 9-Nitro Minocycline Sulfate Salt
• 9-Nitro Minocycline Sulfate Salt (85%)
• Minocycline 9-Nitro Impurity
• [4S-(4α,4aα,5aα,12aα)]-4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a
• 9-Nitro Minocycline Sulfate

9-Nitro Minocycline Sulfate (>85%)

CAS: 153621-80-8

Formula: C₂₃H₂₆N₄O₉·2(H₂SO₄)

Purity: >85%

Ref: TR-TRC-N494015

9-Nitro Minocycline Sulfate (>85%)

Controlled Product

CAS: 153621-80-8

Applications 9-Nitrominocycline is a 9-substituted Minocycline (M344800) derivative used as antibacterial agent.
References McCormick, J., et al.: Antibiotics, 2, 113 (1967), Sokoloski, T., et al.: J. Pharm. Sci., 66, 1159 (1977), Nelson, M., et al.: J. Med. Chem., 36, 370 (1993),

Formula: C₂₃H₂₆N₄O₉·2(H₂SO₄)

Purity: >85%

Color and Shape: Neat

Molecular weight: 698.62

Ref: TR-N494015

9-Nitro Minocycline sulfate salt

CAS: 153621-80-8

Formula: C₂₃H₂₆N₄O₉(H₂O₄S)

Molecular weight: 502.48 : 2(98.07)

Ref: ST-EA-CP-M54013