Mitemcinal Fumarate
(E)-but-2-enedioic acid;bis((2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione)
Molecular Identity
Mitemcinal Fumarate
(E)-but-2-enedioic acid;bis((2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione)
PubChem CID: 11513721
2D Structure
Properties
C84H142N2O28
Molecular Formula
1628.00
Molecular Weight
g/mol
1626.9749
Exact Mass
Da
378
TPSA
May have limited oral absorption
6
H-Bond Donors
30
H-Bond Acceptors
1450
Complexity
SMILES
Canonical SMILES
SMILES: CCC1C(C(=O)C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)(C)OC.CCC1C(C(=O)C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)(C)OC.C(=CC(=O)O)C(=O)OIsomeric SMILES
SMILES: CC[C@@H]1[C@@](C(=O)[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)(C)OC.CC[C@@H]1[C@@](C(=O)[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)(C)OC.C(=C/C(=O)O)\C(=O)OSynonyms(20)
Mitemcinal fumarate154802-96-7Mitemcinal fumarate [USAN]KITA-KU TOYKOUNII-XU63LQ260J5-1 UKIMA 5 CHOMEXU63LQ260JGM-611115-8543 JAPANMitemcinal fumarate (USAN)5-1-UKIMA-5-CHOME115-8543-JAPANMITEMCINAL FUMARATE [WHO-DD]8,9-Didehydro-N-demethyl-9-deoxo-6,11-dideoxy-6,9-epoxy-N-isopropyl-12-O-methyl-11-oxoerythromycin fumarate (2:1) (salt)Erythromycin, 8,9-didehydro-N-demethyl-9-deoxo-6,11-dideoxy-6,9-epoxy-12-O-methyl N-(1-methylethyl)-11-oxo-, (2E)-2-butenedioate (2:1)
Data from PubChem (NCBI)
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