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(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 | CAS No. 1217467-39-4

(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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

Basic Information

Chemical_Structure_Of
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CAS Number

1217467-39-4

Molecular Formula

C28H41D3O2

Molecular Weight

415.68 g/mol

AD

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChI

InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D

InChIKey

KJKIIUAXZGLUND-AJMWPXNJSA-N

LogP

6.7559000000000085

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

725

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

  • 25-Hydroxyvitamin D2 (6,19,19-d3)
  • 25-Hydroxyvitamin D2 (6,19,19-d3) solution
  • Deuterated 25-hydroxycalciferol
  • Deuterated hydroxyvitamin D2
  • 25-Hydroxyvitamin D2-D3
  • 25-OH-Vitamin D2 (6,19,19-d3); 25-Hydroxyvitamin D2-d3 (may contain up to 1.5% d0)
  • 1217467-39-4
  • DTXSID40746314
  • (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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
  • 1ST1577_C
  • (3S,5E,7E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol

MDL Number

MFCD11656527

FAQ

What regulatory guidelines apply to (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4)?
The compound (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4) is subject to REACH regulations in the European Union, requiring manufacturers to register substances above a certain tonnage. GHS classification is necessary to determine its hazardous properties. FDA and EPA regulations apply in the United States, focusing on safety and environmental impact in regulated industries such as pharmaceuticals and agriculture.

Are there alternatives to (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4) in synthesis?
There are no widely known alternatives to (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4) for synthesis due to its unique structure. However, similar isomers such as (1R,3Z) and (1R,3E) may be considered in alternative routes. Common alternative reagents include other cyclohexanols and indenes, but they may not yield the same compound.

What is the market or research trend for (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4)?
The market for (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4) is currently limited due to its specific structure and application. Research trends focus on its potential use in specialized pharmaceuticals and chemical intermediates. Market trends suggest increasing interest in novel compounds with unique properties, driving research and development efforts.

How should waste containing (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4) be handled?
Waste containing (1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 (CAS: 1217467-39-4) should be collected in a sealed container and disposed of through a professional hazardous waste disposal service. Ensure that all waste is properly labeled and any potential environmental hazards are mitigated. Follow local regulations and dispose of the waste in accordance with environmental protection guidelines.

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Hubei Qingbei Yunchen Medicine Technology Co., Ltd.

CAS Number: 1217467-39-4

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(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 — ShenZhenZhenJiangShengWuJiShu Co Ltd

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(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 — Shanghai Analytical Rocky Experimental Technology Co., Ltd.

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(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 — MedChemExpress LLC

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(1S,3E)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R,5S)-6-hydroxy-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 — Shanghai SameSharp Biotechnology Co., Ltd.

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