Stiripentol | CAS No. 49763-96-4

Stiripentol

Basic Information

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CAS Number

49763-96-4

Molecular Formula

C14H18O3

Molecular Weight

234.29 g/mol

Chemical Classification

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

Basic Physical Properties

Melting Point

75.0 to 79.0 deg-C

Boiling Point

365.4°C at 760 mmHg

Density

1.139

Flash Point

174.8°C

Solubility

DMSO: ≥20mg/mL

Refractive Index

1.578

SMILES

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CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+

InChIKey

IBLNKMRFIPWSOY-FNORWQNLSA-N

LogP

2.835500000000002

Topological Polar Surface Area

38.69 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

280

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Stiripentolum (INN-Latin)
Stiripentol (JAN/USAN/INN)
N03AX17
MLS001424144
BCP10434
SMR000449279
MLS000758313
s5266
DTXCID1028994
CCG-101092
HMS3886M17
(E)-1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
SCHEMBL2533815
CAS-49763-96-4
5-19-02-00640 (Beilstein Handbook Reference)
HMS2232P06
BCX2600; BCX-2600; BCX 2600
Estiripentol [INN-Spanish]
(1E)-1-(1,3-dioxaindan-5-yl)-4,4-dimethylpent-1-en-3-ol
W10731
DB09118
BCX-2600
49763-96-4
1-(1,3-Benzodioxol-5yl)-4,4-dimethyl-1-penten-3-ol
Estiripentol
NCGC00185769-02
EN300-7393003
AKOS025149123
STIRIPENTOL [ORANGE BOOK]
SCHEMBL216436
R02XOT8V8I

MDL Number

MFCD00017192

FAQ

What are the physical and chemical properties of Stiripentol (CAS: 49763-96-4)?

Stiripentol (CAS: 49763-96-4) is a white crystalline solid with a molecular weight of approximately 292.33 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol. Stiripentol is known for its low reactivity, making it stable under normal conditions. It has a melting point of about 192-195°C and is relatively stable to heat and light.

How is Stiripentol (CAS: 49763-96-4) typically synthesized?

Stiripentol (CAS: 49763-96-4) is typically synthesized through a multi-step process involving alkylation and subsequent ring closing reactions. The synthesis often requires the use of strong acids as catalysts, such as hydrochloric acid, and proceeds with good selectivity. The overall yield is around 70-80%.

What industries use Stiripentol (CAS: 49763-96-4)?

Stiripentol (CAS: 49763-96-4) is primarily used in the pharmaceutical industry as an anticonvulsant and is a key component in the treatment of Dravet syndrome. It is also studied for its potential applications in other neurological disorders. Limited applications are found in polymer chemistry and sensor technology, but the primary focus is on its medical applications.

What precautions should be taken when handling Stiripentol (CAS: 49763-96-4)?

When handling Stiripentol (CAS: 49763-96-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coat. Stiripentol should be stored in a cool, dry place away from direct sunlight. In case of spillage, it should be cleaned up using absorbent materials, and the area should be well-ventilated to avoid inhalation. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.