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Chemical structure of Sibofimloc

GC13893

Sibofimloc

Also listed as VRT-1353385

VRT-1353385 (Antibiotic-202) is a first-in-class, gut-restricted, orally active FimH adhesion inhibitor extracted from patent WO2014100158A1, Compound Example 202

ChemicalCAS1616113-45-1MW649.68FormulaC35H39NO11
CAS number
1616113-45-1
Molecular weight
649.68
Formula
C35H39NO11
Solubility
≥ 20·2mg/mL in DMSO
InChIKey
SFHMWDMKUYVSQJ-VECBPBMLSA-N
Catalogue number
GC13893
Brand
GLPBIO
Computed properties PubChem CID 76684239 · XLogP -0.8 · TPSA 201 Ų · H-bond donors 8
XLogP
-0.8
TPSA
201 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
47

SMILES CC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)C#C[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=C2C=C(C=C5)C#C[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

Computed descriptors from PubChem (CID 76684239), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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