(4alpha,5alpha,17beta)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile

Basic Information

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CAS Number

13647-35-3

Molecular Formula

C20H27NO3

Molecular Weight

329.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

264 ºC

Boiling Point

497.8°C at 760 mmHg

Flash Point

266.1°C

Solubility

DMSO: ≥17mg/mL

Refractive Index

1.5614 (estimate)

Specific Rotation

D25 +137.4° (c = 1 in pyridine)

SMILES

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CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C

InChI

InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1

InChIKey

KVJXBPDAXMEYOA-CXANFOAXSA-N

LogP

Complexity

692

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

(1aR,4aR,4bS,6aS,7S,9aS,9bS,11aS)-2,7-dihydroxy-4a,6a-dimethyl-1a,4,4a,4b,5,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxirene-3-carbonitrile
BCP0726000098
Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4a,5a,17b)-
WIN 24450
VETORYL CAPSULES
SCHEMBL7517
3,17beta-dihydroxy-4alpha,5-epoxy-5alpha-androst-2-ene-2-carbonitrile
Trilostane; 13647-35-3; Vetoryl; Modrenal; Modrastane
(4Alpha,5alpha,17beta)-4,5-epoxy-3,17-dihydroxyandrost-2-ene-2-carbonitrile
Desopan (TN)
(4alpha,5alpha,17beta)-3,17-dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile
NCGC00274061-01
Trilostane [USAN:INN:BAN:JAN]
Trilostano [INN-Spanish]
CCG-267803
DTXSID9023706
4alpha,5-Epoxy-3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile
Tox21_112454
TRILOSTANE [WHO-DD]
NCGC00255201-01
NSC-758904
BCP04132
CS-1707
GTPL6850
Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4alpha,5alpha,17beta)-
Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4.alpha.,5.alpha.,17.beta.)-
WIN 24,540
HMS3884A15
DB01108
BDBM50247882
NS00018304

MDL Number

MFCD00199295

Customs Code

2937290090

FAQ

What is (4alpha,5alpha,17beta)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile (CAS: 13647-35-3)?

This compound, with the CAS number 13647-35-3, is a synthetic derivative of androstene-2-carbonitrile. It contains hydroxyl groups at positions 3 and 17, an epoxy ring between carbons 4 and 5, and is characterized by its potential biological activity. It is commonly used in chemical research and pharmaceutical development due to its structural similarity to steroid hormones.

What are the main uses of (4alpha,5alpha,17beta)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile (CAS: 13647-35-3)?

This compound is primarily used in pharmaceutical research for the development of steroid-based drugs. It also finds applications in organic synthesis and as a precursor for various bioactive molecules. Its unique structure makes it relevant in the study of hormone-related mechanisms and drug design processes.

Is (4alpha,5alpha,17beta)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile (CAS: 13647-35-3) safe?

Safety considerations for this compound involve proper handling and storage. While it is generally considered safe in controlled laboratory settings, exposure should be minimized due to potential irritant effects. Always follow standard safety protocols and use appropriate personal protective equipment when working with this chemical.

How should (4alpha,5alpha,17beta)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile (CAS: 13647-35-3) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed, airtight container. Avoid exposure to air and store away from incompatible materials to maintain stability and prevent degradation.