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Chemical structure of Rifampin

GC16305

Rifampin

Also known as [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Rifampin is a potent and broad spectrum antibiotic against bacterial pathogens

ChemicalCAS13292-46-1MW822.94FormulaC43H58N4O12
CAS number
13292-46-1
Molecular weight
822.94
Formula
C43H58N4O12
Solubility
≥ 26·25mg/mL in DMSO
InChIKey
JQXXHWHPUNPDRT-WLSIYKJHSA-N
Catalogue number
GC16305
Brand
GLPBIO
Computed properties PubChem CID 135398735 · XLogP 4.9 · TPSA 220 Ų · H-bond donors 6
XLogP
4.9
TPSA
220 Ų
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
5
Heavy atoms
59

SMILES C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)C)O)O)/C=N/N5CCN(CC5)C)/C

Computed descriptors from PubChem (CID 135398735), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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