CAS 1035655-11-8
:2-Naphthacenecarboxamide, 4-(dimethylamino)-7-formyl-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, 2,2,2-trifluoroacetate (1:1)
Description:
2-Naphthacenecarboxamide, 4-(dimethylamino)-7-formyl-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, 2,2,2-trifluoroacetate (1:1) is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amides, aldehydes, and hydroxyls. The presence of a naphthalene ring contributes to its aromatic properties, while the dimethylamino group enhances its potential for biological activity. The compound's stereochemistry, indicated by the specific configuration at several chiral centers, suggests that it may exhibit unique interactions in biological systems. Additionally, the trifluoroacetate moiety may influence its solubility and reactivity. This compound is likely to be of interest in medicinal chemistry and pharmacology due to its potential therapeutic applications, although specific biological activities would require further investigation. Its CAS number, 1035655-11-8, allows for precise identification in chemical databases and literature.
Formula:C22H22N2O8·C2HF3O2
InChI:InChI=1S/C22H22N2O8.C2HF3O2/c1-24(2)16-11-6-9-5-10-8(7-25)3-4-12(26)14(10)17(27)13(9)19(29)22(11,32)20(30)15(18(16)28)21(23)31;3-2(4,5)1(6)7/h3-4,7,9,11,16,26,28-29,32H,5-6H2,1-2H3,(H2,23,31);(H,6,7)/t9-,11-,16-,22-;/m0./s1
InChI key:InChIKey=PYVDALAQAGNRKC-ZFUPCYFMSA-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(C=O)C=CC4O)[H])[H].C(C(O)=O)(F)(F)F
Synonyms:- 2-Naphthacenecarboxamide, 4-(dimethylamino)-7-formyl-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-, 2,2,2-trifluoroacetate (1:1)
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