(3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol

Basic Information

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CAS Number

1217448-46-8

Molecular Formula

C28H41D3O

Molecular Weight

399.68 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Solid

Melting Point

114-118 °C

Boiling Point

504.2±29.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Flash Point

14 °C

Vapor Pressure

0.0±2.9 mmHg at 25°C

SMILES

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O[C@H]1CCC(=C([2H])[2H])/C(=C(\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)/[2H])/C1

InChI

InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1/i4D2,13D

InChIKey

MECHNRXZTMCUDQ-OQGZBSKRSA-N

LogP

7.641000000000007

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Safety Information

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Hazard Statement

H330 Fatal if inhaled
Acute toxicity, inhalation

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Synonyms & References

English

Doxercalciferol-D3
VD2-D3
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
Cyclohexanol, 4-(methylene-d2)-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene-1-d]-, (1S,3Z)-
D3-Vitamin D2 (6,19,19-D3)
Deuterated vitamin D2
(1S,3Z)-4-(Methylene-d2)-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene-1-d]cyclohexanol
Ergocalciferol-(6,19,19-d3)
VD2-d

MDL Number

MFCD11656674

FAQ

What regulatory guidelines apply to (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8)?

The compound (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8) is regulated under the Chemicals Registration Regulation (REACH) in the European Union, which requires manufacturers and importers to register chemicals above a certain tonnage. Additionally, in the USA, the EPA may require reporting under the Toxic Substances Control Act (TSCA). The FDA may also regulate its use in pharmaceuticals. Hazards should be assessed according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS).

Are there alternatives to (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8) in synthesis?

Alternatives to (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8) in synthesis include other steroidal compounds such as ergosterol and stigmasterol, which are often used as precursors or alternatives in various pharmaceutical and cosmetic applications. Isomers and analogs may also be considered, depending on the specific synthesis requirements and target properties.

What is the market or research trend for (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8)?

The market for (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8) is driven by its applications in the pharmaceutical and cosmetic industries. Research trends focus on its potential in drug discovery and development, as well as its role in plant growth regulation and anti-inflammatory properties. The market is expected to grow with increasing interest in natural product chemistry and bioactive compounds.

How should waste containing (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8) be handled?

Waste containing (3S,5Z,7E,22E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol (CAS: 1217448-46-8) should be collected in appropriate containers and disposed of via professional waste disposal services. Incineration is a common method for disposal, ensuring proper destruction and minimizing environmental impact. Environmental protection measures, such as monitoring for hazardous emissions, should be implemented to comply with local regulations and protect the environment.