Rifabutin | CAS No. 72559-06-9

Rifabutin

Basic Information

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CAS Number

72559-06-9

Molecular Formula

C46H62N4O11

Molecular Weight

847.02 g/mol

EINECS

615-780-3

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

169-171°C

Boiling Point

969.6±65.0 °C(Predicted)

Density

1.33±0.1 g/cm3(Predicted)

Water Solubility

0.19g/L(temperature not stated)

SMILES

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CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4C5=NC6(CCN(CC(C)C)CC6)NC5=C(NC(=O)C(=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)C)C(=O)c4c(O)c3C

InChI

InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1

InChIKey

ATEBXHFBFRCZMA-OZFKZPMASA-N

LogP

4.615720000000004

pKa

3.31±0.70(Predicted)

Topological Polar Surface Area

205.54999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 15

Complexity

2110

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

对光敏感

Synonyms & References

English

4-Deoxw3，4-[2-spiro(N-isobutyl-4-pipendyl)]-(1H)-imidazo-(2，5-dihydro)rifamycin S
4-N-ISOBUTYLSPIROPIPERIDYLRIFAMYCIN S
RIFABUTIN
RIFABUTINE
1,4-dihydro-1-deoxy-1’,4-didehydro-5’-(2-methylpropyl)-1-oxo-rifamycinxi
(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,16,18,20-Tetrahydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-hepta-methyl-spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo-[2',3':7,8]-naphth[1,2-d]imidazol-2,4'-piperidin]-5,10,26-(3H,9H)-trione
Ansatipine
Mycobutin
Rifabutin
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
1',4-didehydro-1-desoxi-1,4-di-hydro-5'-(2-methyl-propyl)-1-oxo-rifamycin
4-deoxo-3,4-[2-spiro(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo]-rifamicin S
6,9-dihydro-5,17,19,21-tetrahydroxy-8,9-[2-spiro-(N-isobutyl-4-piperidyl)-2,5-dihydro-1H-imidazo]-23-methoxy-2,4,12,16,18,20,22-heptamethyl-6-oxo-2,7-epoxypentadeca-[1,11,13]-trienimine-2H-furo[2',3',7
antibioticlm427
lm427
Rifabatin
LM-427
(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,16,18,20-Tetrahydroxy-1'-isobutyl-14-methoxy-7,9,15,17,19,21,25-hepta-methyl-spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo-[2',3':7,8]-naphth
Ansatipin
Rifabutinum [Latin]
Rifabutine [French]
Rifabutina [Spanish]
Rifabutinum
Rifabutina
Mycobutin (TN)
LM 427
Antibiotic LM 427
ATEBXHFBFRCZMA-VXTBVIBXSA-N

MDL Number

MFCD00866816

EC Number

615-780-3

Customs Code

2941906000

FAQ

What is Rifabutin (CAS: 72559-06-9)?

Rifabutin (CAS: 72559-06-9) is a bactericidal antibiotic belonging to the rifamycin class. Its chemical formula is C22H28N4O12, and it appears as a yellowish powder. Rifabutin is known for its potent activity against mycobacteria, including *Mycobacterium tuberculosis*, and is used in the treatment of tuberculosis and leprosy. It inhibits bacterial RNA polymerase, making it effective in preventing microbial growth.

What are the main uses of Rifabutin (CAS: 72559-06-9)?

Rifabutin (CAS: 72559-06-9) is primarily used as an antibiotic to treat tuberculosis and leprosy. It is also employed in combination therapy to reduce drug resistance. In research, Rifabutin is studied for its antimicrobial mechanisms and potential applications in combating antibiotic-resistant infections. Its use is regulated due to its classification as a prescription medication.

Is Rifabutin (CAS: 72559-06-9) safe?

Rifabutin (CAS: 72559-06-9) is generally safe when used as directed, but it may cause side effects such as gastrointestinal discomfort, liver toxicity, or hypersensitivity reactions. Safety precautions include proper handling by trained personnel and adherence to regulatory guidelines. It is prescription-only and should be stored securely to prevent misuse. Always follow recommended safety protocols to ensure safe use.

How should Rifabutin (CAS: 72559-06-9) be stored?

Rifabutin (CAS: 72559-06-9) should be stored in a cool, dry place away from light, typically at 2-8°C. Keep it in a sealed, airtight container to maintain stability and prevent moisture exposure. Avoid prolonged storage beyond the expiration date to ensure potency. Proper storage conditions are critical to preserving its chemical integrity and effectiveness.