Rifabutin

• CAS: 72559-06-9
• Catalog Number: ACM72559069
• Category: Inhibitors
• Molecular Weight: 847
• Molecular Formula: C₄₆H₆₂N₄O₁₁
• Description: Rifabutin (Ansamycin) is a semisynthetic ansamycin antibiotic with potent antimycobacterial properties. Rifabutin inhibits DNA-dependent RNA polymerase.
• Synonyms: 4-N-ISOBUTYLSPIROPIPERIDYLRIFAMYCIN S;RIFABUTIN;RIFABUTINE;1,4-dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxo-rifamycinxi;1,4-dihydro-1-deoxy-1',4-didehydro-5'-(2-methylpropyl)-1-oxorifamycinxiv;1',4-Didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxo-;4-deoxo-3,4-(2-spiro(n-isobutyl-4-piperidyl)-2,5-dihydro-1h-imidazo)-rifamyc;Ansamycin
• Canonical SMILES: C[C@H]1/C=C/C=C(C)\C(/N=C2C(O)=C3C(C4=C(O[C@@](O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)(C)C4=O)C(C)=C3O)=C5C/2=NC6(CCN(CC(C)C)CC6)N5)=O
• Melting Point: 169-171°C
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Shipping: Can be shipped at room temperature, where not in use may vary.

Custom Q&A

What is the molecular formula of Rifabutin?

The molecular formula of Rifabutin is C46H62N4O11.

When was Rifabutin created and modified?

Rifabutin was created on January 15, 2019, and modified on December 30, 2023.

What is the role of Rifabutin?

Rifabutin has a role as an antitubercular agent.

What is the molecular weight of Rifabutin?

The molecular weight of Rifabutin is 847.0 g/mol.

What is Rifabutin used for in HIV-positive patients?

Rifabutin is used as prophylaxis against disseminated Mycobacterium avium complex infection in HIV-positive patients.

What is the IUPAC name of Rifabutin?

The IUPAC name of Rifabutin is [(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[23.6.1.1 4,7 .0 5,31 .0 26,30 ]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-13-yl] acetate.

What is the InChIKey of Rifabutin?

The InChIKey of Rifabutin is ZWBTYMGEBZUQTK-PVLSIAFMSA-N.

What is the Canonical SMILES of Rifabutin?

The Canonical SMILES of Rifabutin is CC1C=CC=C(C(=O)N=C2C(=C3C(=C4C2=NC5(N4)CCN(CC5)CC(C)C)C6=C(C(=C3O)C)OC(C6=O)(OC=CC(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C.

What is the CAS ID of Rifabutin?

The CAS ID of Rifabutin is 72559-06-9.

What is the XLogP3-AA value of Rifabutin?

The XLogP3-AA value of Rifabutin is 4.7.