Treprostinil | CAS No. 81846-19-7

Treprostinil

Basic Information

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CAS Number

81846-19-7

Molecular Formula

C23H34O5

Molecular Weight

390.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

121-123°

SMILES

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CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(OCC(=O)O)cccc3C[C@H]12

InChI

InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

PAJMKGZZBBTTOY-ZFORQUDYSA-N

LogP

3.5832000000000024

Topological Polar Surface Area

86.99 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Synonyms & References

English

Treprostinil
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
REMODULIN
UNIPROST
[14C]-Treprostinil
15AU81
2-((1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((S)-3-hydroxyoctyl)-1H-cyclopenta[b]naphthalen-5-yloxy)acetic acid
LCZ696
LCZ-696
LRX-15
sacubitril
treprostinol
Tyvaso
UNII-RUM6K67ESG
Valsartan
2-[[(1R,2R,3aS,9aS)-2,3,4,9,9a-hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-acetic acid
[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]acetic acid
2-(((1R,2R,3aS,9aS)-2-hydroxy-1-((S)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl)oxy)acetic acid

MDL Number

MFCD00888847

FAQ

What regulatory guidelines apply to Treprostinil (CAS: 81846-19-7)?

Treprostinil (CAS: 81846-19-7) is subject to regulatory guidelines including GHS classification for health hazards, REACH regulations for the registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA requirements for pharmaceutical and environmental safety. It is classified as a vasoactive drug in the United States and requires specific handling and storage conditions to ensure safety and efficacy.

Are there alternatives to Treprostinil (CAS: 81846-19-7) in synthesis?

Alternatives to Treprostinil (CAS: 81846-19-7) in synthesis include analogs such as iloprost and trexinal, which share similar structural features and pharmacological properties. Common alternative reagents and methods include the use of ketone reduction and nitrite addition to form the prostacyclin ring structure, offering various synthetic routes for this compound.

What is the market or research trend for Treprostinil (CAS: 81846-19-7)?

The market for Treprostinil (CAS: 81846-19-7) is focused on its use as a vasodilator in the treatment of pulmonary arterial hypertension. Research trends include the development of its prodrug forms, such as selexipag, and the exploration of new formulations to improve patient compliance and efficacy. Additionally, there is ongoing interest in understanding the mechanisms of action and identifying potential off-label applications.

How should waste containing Treprostinil (CAS: 81846-19-7) be handled?

Waste containing Treprostinil (CAS: 81846-19-7) should be handled with care to prevent environmental contamination and ensure safety. Collection should be done in designated containers, and the waste should be neutralized and incinerated or disposed of by a professional hazardous waste disposal service. Proper personal protective equipment and disposal methods should be used to prevent exposure and maintain environmental standards.