Isotetracycline

cas: 3811-31-2 — see every product listed under this CAS number, including other names

Isotetracycline (CAS 3811-31-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULT4023
cas3811-31-2
sizeon request
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Structural formula: {0} (CAS {1})

(4S,4aS,6S,8aR)-4-(dimethylamino)-1,8a-dihydroxy-6-[(1S)-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide (CAS 3811-31-2) is a chemical compound with the molecular formula C22H24N2O8 and a molecular weight of 444.4 g/mol. IUPAC name: (4S,4aS,6S,8aR)-4-(dimethylamino)-1,8a-dihydroxy-6-[(1S)-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide. InChIKey: FBFMFLWQGROEOB-GTCCLLRZSA-N.

Identity
Molecular formulaC22H24N2O8
Molecular weight444.4 g/mol
IUPAC name(4S,4aS,6S,8aR)-4-(dimethylamino)-1,8a-dihydroxy-6-[(1S)-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide
InChIKeyFBFMFLWQGROEOB-GTCCLLRZSA-N
SMILESC[C@@]1(C2=C(C(=CC=C2)O)C(=O)O1)[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3)O)O)C(=O)N)N(C)C

Computed by PubChem (NCBI)

Synonyms: Isotetracycline
Isomers (same molecular formula)
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide C22H24N2O8
(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide C22H24N2O8
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione C22H24N2O8
4-O-benzyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate C22H24N2O8
(4R,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide C22H24N2O8
4-(dimethylamino)-1,5,6,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide C22H24N2O8
(4S,4aS,5aS,6S,12aR)-4-[bis(trideuteriomethyl)amino]-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide C22H24N2O8
4-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate C22H24N2O8
(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide C22H24N2O8
(4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide C22H24N2O8
(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide C22H24N2O8
(4S)-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid C22H24N2O8