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Chemical structure of Rifabutin

GC15046

Rifabutin

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-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-13-yl] acetate

anti-TB(tuberculosis) medicine

ChemicalCAS72559-06-9MW847FormulaC46H62N4O11
CAS number
72559-06-9
Molecular weight
847
Formula
C46H62N4O11
Solubility
≥ 42·35mg/mL in DMSO
InChIKey
ZWBTYMGEBZUQTK-PVLSIAFMSA-N
Catalogue number
GC15046
Brand
GLPBIO
Computed properties PubChem CID 135398743 · XLogP 4.7 · TPSA 209 Ų · H-bond donors 5
XLogP
4.7
TPSA
209 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
5
Heavy atoms
61

SMILES C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)O[C@@](C6=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)O)/C

Computed descriptors from PubChem (CID 135398743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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