Sulbutiamine | CAS No. 3286-46-2

Sulbutiamine

Basic Information

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CAS Number

3286-46-2

Molecular Formula

C32H46N8O6S2

Molecular Weight

702.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

149-156°C

Boiling Point

892.5°C at 760 mmHg

Flash Point

493.5°C

Refractive Index

1.7400 (estimate)

SMILES

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O=CN(/C(=C(\SS/C(=C(\N(Cc1cnc(nc1N)C)C=O)/C)/CCOC(=O)C(C)C)/CCOC(=O)C(C)C)/C)Cc1cnc(nc1N)C

InChI

InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22-

InChIKey

CKHJPWQVLKHBIH-ZDSKVHJSSA-N

LogP

4.687840000000004

Topological Polar Surface Area

196.82000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 14

Complexity

1050

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

sulbutiamine
diisobutyrate(ester)
o,o’-diisobutyrylthiaminedisulfide
o-isobutyroylthiaminedisulfide
[4-[(4-amino-2-methylpyrimidin-5-yl)methylformylamino]-3-[2-[(4-amino-2-methylpyrimidin-5-yl)methylformylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanylpent-3-enyl] 2-methylpropanoate
arcalion
BISIBUTIAMINE
Bisibuthiamine
[4-[(4-Amino-2-methylpyrimidin-5-yl)methylformylamino]-3-[2-[(4-amino-2-methylpyrimidin-5-yl)methylformylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanylpent-3-enyl] 2
O-Isobutyroylthiamine Disulfide
Arcalion
Bisibutiamine
[4-[(4-Amino-2-methylpyrimidin-5-yl)methylformylamino]-3-[2-[(4-amino-2-methylpyrimidin-5-yl)methylformylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanylpent-3-enyl] 2-methylpropanoate
Sulbutiamine
disulfanediylbis(4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-ene-3,1-diyl) bis(2-methylpropanoate)

MDL Number

MFCD01726427

FAQ

What is Sulbutiamine (CAS: 3286-46-2)?

Sulbutiamine (CAS: 3286-46-2) is a synthetic nootropic compound derived from thiamine (vitamin B1). It has the chemical formula C14H21NO4S and is known for its ability to cross the blood-brain barrier, enhancing cognitive function and neurological activity. It is commonly used in dietary supplements and pharmaceutical applications for its potential to support brain health.

What are the main uses of Sulbutiamine (CAS: 3286-46-2)?

Sulbutiamine (CAS: 3286-46-2) is primarily used as a nootropic supplement to enhance memory, focus, and mental clarity. It also finds applications in the treatment of neurological disorders such as depression, fatigue, and cognitive decline. Additionally, it is used in research for its potential therapeutic benefits and in the pharmaceutical industry for drug development.

Is Sulbutiamine (CAS: 3286-46-2) safe?

Sulbutiamine (CAS: 3286-46-2) is generally considered safe when used as directed, with minimal toxicity reported in most studies. It is well-tolerated in recommended doses, but precautions should be taken with high dosages. Always follow safety guidelines and consult a healthcare professional before use, especially for individuals with pre-existing medical conditions.

How should Sulbutiamine (CAS: 3286-46-2) be stored?

Sulbutiamine (CAS: 3286-46-2) should be stored in a cool, dry, and dark place, away from moisture and direct sunlight. It is best kept in a sealed container at a temperature below 25°C (77°F) and in a humidity-controlled environment to maintain stability and prevent degradation. Avoid exposure to air and keep it out of reach of children.