Telocinobufagin

Basic Information

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CAS Number

472-26-4

Molecular Formula

C24H34O5

Molecular Weight

402.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Physical State

Powder

Solubility

Methanol; Chloroform

SMILES

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CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O

InChI

InChI=1S/C24H34O5/c1-21-9-5-16(25)13-23(21,27)11-7-19-18(21)6-10-22(2)17(8-12-24(19,22)28)15-3-4-20(26)29-14-15/h3-4,14,16-19,25,27-28H,5-13H2,1-2H3/t16-,17+,18-,19+,21+,22+,23-,24-/m0/s1

InChIKey

PBSOJKPTQWWJJD-ZBDZJSKLSA-N

LogP

3.356800000000003

Topological Polar Surface Area

90.9 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

788

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

5-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
CS-3703
Q27151407
NSC-90782
3beta,5,14-Trihydroxy-5beta-bufa-20,22-dienolide
NSC119989
BDBM50593518
4-18-00-02553 (Beilstein Handbook Reference)
Bufa-20, 3,5,14-trihydroxy-, (3.beta.,5.beta.)-
5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-
NSC-119989
Telobufotoxin
Telocinobufagin
Telobufotoxin;Telocinobufogenin
DTXSID701316861
5beta-Bufa-20,22-dienolide, 3beta,5,14-trihydroxy-
5.beta.-Bufa-20, 3.beta.,5,14-trihydroxy-
Telecinobufagin
NSC90782
C17072
3,5,14-Trihydroxybufa-20,22-dienolide
CHEBI:80908
NSC 119989
AKOS030526152
MFCD00468034
3beta,5beta,14-trihydroxy-bufa-20,22-dienolide
472-26-4
MS-26870
Bufa-20,22-dienolide, 3,5,14-trihydroxy-, (3beta,5beta)-
NCGC00485919-01
SCHEMBL866975

MDL Number

MFCD00468034

FAQ

What are the physical and chemical properties of Telocinobufagin (CAS: 472-26-4)?

Telocinobufagin (CAS: 472-26-4) is a crystalline compound with a molecular weight of approximately 903.4 g/mol. It is poorly water-soluble (solubility less than 1 mg/L) and exhibits moderate reactivity with basic substances. Telocinobufagin is stable under normal conditions but should be stored in a dry place away from moisture and acidic materials.

How is Telocinobufagin (CAS: 472-26-4) typically synthesized?

Telocinobufagin (CAS: 472-26-4) can be synthesized through a multi-step process involving the transformation of bufadienolides. Common synthetic methods include protection of the hydroxyl groups, modification of the C-25 side chain, and subsequent deprotection. The process typically employs catalytic hydrogenation and ring-opening reactions, with yields ranging from 50-70%.

What industries use Telocinobufagin (CAS: 472-26-4)?

Telocinobufagin (CAS: 472-26-4) has applications in the pharmaceutical industry, particularly in the development of cardiac glycosides for treating heart diseases. It is less commonly used in other industries such as polymers, sensors, and semiconductors due to its limited solubility and reactivity.

What precautions should be taken when handling Telocinobufagin (CAS: 472-26-4)?

Handling Telocinobufagin (CAS: 472-26-4) requires the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. It should be stored in a dry and cool environment, away from heat and moisture. In case of a spill, it should be immediately cleaned up with a suitable absorbent material, followed by thorough washing of the area. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.