[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (non-preferred name)

Basic Information

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CAS Number

97240-79-4

Molecular Formula

C12H21NO8S

Molecular Weight

339.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

124.0 to 128.0 deg-C

Boiling Point

438.7°C at 760 mmHg

Density

1.3360

Solubility

DMSO: ~44 mg/mL

Refractive Index

1.497

Specific Rotation

-33° - -29° (c=1,MeOH)

SMILES

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CC1(C)O[C@@H]2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@H]3[C@@H]2O1

InChI

InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1

InChIKey

KJADKKWYZYXHBB-XBWDGYHZSA-N

LogP

-0.3953999999999982

Topological Polar Surface Area

115.54000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

556

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

topiramate
2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose sulfamate
Topamax
Tracrium
Toiramate:
[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',3'-d]pyran-3a-yl]methyl sulfamate
Topiramate solution
2,3:4,5-Di-O-isopropylidene-β-D-fructopyranoside sulfamate
Epitomax
McN 4853
McN-4853
RWJ 17021
Tipiramate
Topamax Sprinkle
Topimax
Topiramatum
Topomax
2,3:4,5-Bis-O-(1-methylethylidene)-36-D-fructo-pyranose sulfamate
2,3:4,5-Di-O-isopropylidene-1-O-sulfamoyl-β-D-fructopyranose
RWJ-17021
2,3:4,5-bis-O-(1-methylethylidene)-beta-D-fructopyranose sulfamate
Tipiramato
Topiramato
Tipiramate [French]
Tipiramato [Spanish]
Topiramatum [INN-Latin]
topiramatum [Latin]
Topiramato [INN-Spanish]
C12H21NO8S
USL255
[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis

MDL Number

MFCD00865320

FAQ

What is [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4)?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4) is a complex organic compound containing sulfamate functionality. It is a white to pale yellow solid with a molecular formula of C16H32N2O7S2 and exhibits specific stereochemical configurations. This compound is known for its structural complexity and potential applications in specialized chemical fields.

What are the main uses of [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4)?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4) is primarily used in pharmaceutical research for its potential biological activity. It may also find applications in organic synthesis and as a functional group in more complex molecules. Its specific properties make it relevant in specialized chemical and medicinal studies.

Is [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4) safe?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4) is generally considered safe when handled properly. However, as with many chemical compounds, it should be used with appropriate safety measures, including protective gloves and goggles. Safety data sheets (SDS) should be consulted for detailed information on toxicity and handling.

How should [(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4) be stored?

[(3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate (CAS: 97240-79-4) should be stored in a cool, dry, and well-ventilated area. It is recommended to keep it in a sealed container away from light to maintain stability and prevent degradation. Always store it in a location that is inaccessible to children and not in proximity to incompatible substances.