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Chemical structure of Fidaxomicin-d7

GC75856

Fidaxomicin-d7

Also known as [(2R,3S,4S,5S,6R)-6-[[(3Z,5Z,8R,9Z,11S,12R,13Z,15Z,18S)-12-[(3R,4S,5R)-3,4-dihydroxy-6,6-dimethyl-5-[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propanoyl]oxyoxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

Fidaxomicin-d7 (OPT-80-D7) is the deuterium labeled Fidaxomicin

ChemicalCAS2143934-06-7MW1065.08FormulaC52H67D7Cl2O18
CAS number
2143934-06-7
Molecular weight
1065.08
Formula
C52H67D7Cl2O18
InChIKey
ZVGNESXIJDCBKN-XKBXQBGASA-N
Catalogue number
GC75856
Brand
GLPBIO
Computed properties PubChem CID 168006639 · XLogP 6.4 · TPSA 267 Ų · H-bond donors 7
XLogP
6.4
TPSA
267 Ų
H-bond donors
7
H-bond acceptors
18
Rotatable bonds
15
Heavy atoms
72

SMILES [2H]C([2H])([2H])C([2H])(C(=O)O[C@@H]1[C@H]([C@H](C(OC1(C)C)O[C@@H]/2[C@H](/C=C(\[C@@H](C\C=C/C=C(\C(=O)O[C@@H](C\C=C(/C=C2/C)\C)[C@@H](C)O)/CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)/C)CC)O)O)C([2H])([2H])[2H]

Computed descriptors from PubChem (CID 168006639), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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