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Chemical structure of Rifasutenizol

GC70893

Rifasutenizol

Also known as [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate

Rifasutenizol (TNP-2198) is a potent and orally bioavailable dual-targeted antibacterial agent

ChemicalCAS1001314-13-1MW944.04FormulaC48H61N7O13
CAS number
1001314-13-1
Molecular weight
944.04
Formula
C48H61N7O13
InChIKey
OZUTUJQHZGJOKZ-AIGATTFSSA-N
Catalogue number
GC70893
Brand
GLPBIO
Computed properties PubChem CID 136014272 · XLogP 4.6 · TPSA 273 Ų · H-bond donors 5
XLogP
4.6
TPSA
273 Ų
H-bond donors
5
H-bond acceptors
17
Rotatable bonds
6
Heavy atoms
68

SMILES C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CCN7C(=NC=C7[N+](=O)[O-])C)N=C25)O)/C

Computed descriptors from PubChem (CID 136014272), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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