(4S,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride (1:1)

Basic Information

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CAS Number

130693-82-2

Molecular Formula

C10H17ClN2O4S3

Molecular Weight

360.91 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

283-285°C

Boiling Point

575.8°C at 760 mmHg

Density

1.53

Flash Point

No data available

Vapor Pressure

No data available

Specific Rotation

-7 ~ -9° (c=1,MeOH)

SMILES

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CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl

InChI

InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1

InChIKey

OSRUSFPMRGDLAG-QMGYSKNISA-N

LogP

1.0338000000000003

Topological Polar Surface Area

106.33 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

534

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Tox21_110720
(SS,6S)-N-ethyl-6-methyl-2-sulfamoyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-4-aminium 7,7-dioxide chloride
DORZOLAMIDE HYDROCHLORIDE COMPONENT OF COSOPT
Dorzolamide hydrochloride- Bio-X
DORZOLAMIDE HYDROCHLORIDE (USP MONOGRAPH)
NCGC00179244-03
DORZOLAMIDE HYDROCHLORIDE (MART.)
MLS002154162
MK507 hydrochloride
L-671152
s1375
Dorzolamide PF
(4S,6S)-4-Ethylamino-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide monohydrochloride
Dorzolamide hydrochloride [USAN]
L671152;MK507
Dorzolamide Hydrochloride Ophthalmic
rac-trans Dorzolamide hydrochloride
4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-(ethylamino)-6-methyl-, 7,7-dioxide, monohydrochloride, (4S,6S)-
MFCD00884659
Dorzolomide hydrochloride
L-671,152
Dorzolamide for system suitability, European Pharmacopoeia (EP) Reference Standard
Cosopt
Dorzolamide HCl
CS-1858
SR-05000001449
CCG-221116
COSOPT COMPONENT DORZOLAMIDE HYDROCHLORIDE
Dorzolamide hydrochloride (JP17/USP)
DORZOLAMIDE HYDROCHLORIDE, TRANS-(-)-
CHEMBL1201162

MDL Number

MFCD00884659

Customs Code

2935009090

FAQ

What is (4S,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride (1:1) (CAS: 130693-82-2)?

This compound is a sulfonamide derivative with a complex chemical structure containing a thieno[2,3-b]thiopyran ring and a hydrochloride (1:1) salt form. Its molecular formula is C9H13N3O4S3·HCl, and it exhibits characteristics typical of sulfonamides, including potential pharmaceutical applications. The compound is noted for its stereochemistry at the 4S and 6S positions, which may influence its biological activity and chemical reactivity.

What are the main uses of (4S,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride (1:1) (CAS: 130693-82-2)?

This compound is primarily used in pharmaceutical research as a potential therapeutic agent, particularly in the development of drugs targeting metabolic disorders. Its unique structure may also find applications in organic synthesis and as a research chemical for studying sulfonamide-based mechanisms. Due to its chemical complexity, it is less common in industrial or food applications but remains relevant in medicinal chemistry.

Is (4S,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride (1:1) (CAS: 130693-82-2) safe?

Safety considerations for this compound include potential toxicity if ingested or inhaled, necessitating proper handling with gloves, eye protection, and ventilation. It is classified under safety standards requiring adherence to OSHA guidelines for chemical exposure. Users should follow standard laboratory protocols to minimize risks, as it may exhibit irritant properties and requires careful disposal to ensure environmental safety.

How should (4S,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride (1:1) (CAS: 130693-82-2) be stored?

This compound should be stored in a cool, dry place at 2-8°C, protected from light and moisture. It requires airtight container storage to maintain stability and prevent degradation. Avoid exposure to humidity and keep it in a sealed, non-reactive container to ensure long-term chemical integrity and safety during handling.