CAS 14206-58-7

(1R,4aS,11S,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,11,12-pentahydroxy-N,N,11-trimethyl-2,4,5-trioxo-1,2,3,4,4a,5,11,11a,12,12a-decahydrotetracen-1-aminium

Description:

The chemical substance with the name "(1R,4aS,11S,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,11,12-pentahydroxy-N,N,11-trimethyl-2,4,5-trioxo-1,2,3,4,4a,5,11,11a,12,12a-decahydrotetracen-1-aminium" and CAS number "14206-58-7" is a complex organic compound characterized by its intricate polycyclic structure and multiple functional groups. It features a tetracyclic framework with several hydroxyl groups, contributing to its potential solubility in polar solvents and reactivity in various chemical environments. The presence of amino and hydroxy groups suggests that it may exhibit both basic and acidic properties, allowing for interactions with other molecules, such as hydrogen bonding. Additionally, the trimethylammonium group indicates a quaternary ammonium structure, which can impart cationic characteristics, enhancing its potential applications in biological systems or as a surfactant. Overall, this compound's unique stereochemistry and functionalization make it of interest in fields such as medicinal chemistry and materials science.

Formula:C₂₂H₂₄N₂O₉

InChI:InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14-,17+,21-,22+/m1/s1

InChI key:InChIKey=IWVCMVBTMGNXQD-DVJPNYBFSA-N

SMILES:O[C@@]12[C@@]([C@@H](O)[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@@H](N(C)C)C(O)=C(C(N)=O)C2=O)[H]

Synonyms:

2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, [4R-(4α,4aβ,5β,5aβ,6α,12aβ)]-
4-epi-Oxytetracycline
Quatrimycin, hydroxy-
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4R,4aR,5S,5aR,6S,12aS)-
(4R,4aR,5S,5aR,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
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