Ibutilide Fumarate

Basic Information

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CAS Number

122647-32-9

Molecular Formula

C44H76N4O10S2

Molecular Weight

885.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

116-118°C

Boiling Point

522.4°C at 760 mmHg

Flash Point

269.7 °C

Solubility

H2O: >20mg/mL

SMILES

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CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/2C20H36N2O3S.C4H4O4/c2*1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;5-3(6)1-2-4(7)8/h2*12-15,20-21,23H,4-11,16-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

PCIOHQNIRPWFMV-WXXKFALUSA-N

LogP

8.039800000000008

Topological Polar Surface Area

213.87999999999997 Å²

Hydrogen Bond Donor/Acceptor

6 / 14

Complexity

561

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(+/-)-N-[4-[4-(Ethylheptylamino)-1-hydroxybutyl]phenyl]-methanesulfonamide hemifumarate salt
(+-)-N-(4-(4-(Ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide (E)-butenedioate
(E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
Corvert Fumarate
Methanesulfonamide, N-(4-(4-(ethylheptylamino)-1-hydroxybutyl)phenyl)-, (+-)-, (E)-2-butenedioate (2:1) (salt)
CHEMBL2355456
IBUTILIDE FUMARATE [USP MONOGRAPH]
UNII-9L5X4M5L6I
IBUTILIDE FUMARATE [MI]
bis(N-(4-(4-(ethyl(heptyl)amino)-1-hydroxybutyl)phenyl)methanesulfonamide) fumarate
Z1541759252
IBUTILIDE FUMARATE [MART.]
Q27272695
D00648
Ibutilide Fumarate [USAN]
DTXCID1028578
IBUTILIDE FUMARATE (MART.)
NCGC00181771-01
METHANESULFONAMIDE, N-(4-(4-(ETHYLHEPTYLAMINO)-1-HYDROXYBUTYL)PHENYL)-, (+/-)-, (E)-2-BUTENEDIOATE (2:1) (SALT)
MFCD01715410
HMS3714I11
IBUTILIDE FUMARATE [WHO-DD]
EN300-122354
U 70226E
Ibutilide (fumarate)
1807940-66-4
A804940
HMS3884N07
s2118
IBUTILIDE FUMARATE
DTXSID8048652

MDL Number

MFCD01715410

FAQ

What regulatory guidelines apply to Ibutilide Fumarate (CAS: 122647-32-9)?

Ibutilide Fumarate (CAS: 122647-32-9) is regulated under the Globally Harmonized System (GHS) for Classification and Labeling of Chemicals. It is also subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations in the EU. In the USA, it is regulated by the FDA and EPA for pharmaceutical and environmental safety. Compliance with OSHA and local regulations is also necessary.

Are there alternatives to Ibutilide Fumarate (CAS: 122647-32-9) in synthesis?

There are alternatives to Ibutilide Fumarate (CAS: 122647-32-9) in synthesis, such as using related compounds like ibutilide or different fumarate derivatives. Common alternative reagents include other antiarrhythmic drugs that share similar mechanisms of action, reducing the need for Ibutilide Fumarate in certain applications.

What is the market or research trend for Ibutilide Fumarate (CAS: 122647-32-9)?

The market for Ibutilide Fumarate (CAS: 122647-32-9) is stable, with a focus on its use in the treatment of atrial fibrillation. Research trends include investigating its efficacy in combination with other drugs and studying its long-term safety. Market trends suggest a growing demand for effective antiarrhythmic agents.

How should waste containing Ibutilide Fumarate (CAS: 122647-32-9) be handled?

Waste containing Ibutilide Fumarate (CAS: 122647-32-9) should be collected in leak-proof containers and stored in a cool, dry place. Incineration is the preferred method for disposal, followed by professional waste disposal services. Ensure compliance with local environmental regulations and take precautions to prevent contamination of the environment during handling.