(16alpha)-16,17-Epoxypregn-4-ene-3,20-dione

Basic Information

View in Editor

CAS Number

1097-51-4

Molecular Formula

C21H28O3

Molecular Weight

328.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

200C

Boiling Point

466.9°C at 760 mmHg

Density

1.18

Flash Point

204.4 °C

Refractive Index

168 ° (C=1, CHCl3)

SMILES

View in Editor

CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C

InChI

InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1

InChIKey

LHNVKVKZPHUYQO-SRWWVFQWSA-N

LogP

3.8548000000000036

Topological Polar Surface Area

46.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

679

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-acetyl-6a,8a-dimethyl-5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4(2H)-one
16-alpha,17-Epoxypregn-4-ene-3,20-dione
16a,17a-epoxyprogesterone
16.ALPHA.,17.ALPHA.-EPOXY-4-PREGNENE-3,20-DIONE
16alpha,17-epoxy-4-pregnene-3,20-dione
NS00042054
CS-0145392
EINECS 214-147-5
UNII-F2DR02G069
PREGN-4-ENE-3,20-DIONE, 16.ALPHA.,17-EPOXY-
AKOS005622696
16alpha,17-Epoxypregn-4-ene-3,20-dione
16.ALPHA.,17.ALPHA.-OXIDOPREGN-4-ENE-3,20-DIONE
Pregn-4-ene-3, 16,17-epoxy-, (16.alpha.)-
16,17-alpha-Epoxyprogesterone
CHEBI:34167
A,17
A-epoxyprogesterone
Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16alpha)-
NSC18315
F2DR02G069
16,17-Epoxyprogesterone
(1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one
D70987
(8R,10R,13S,16R,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-3-one
1097-51-4
Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16-alpha)-
NSC-18315
A927380
MFCD00055948
SCHEMBL4539514

MDL Number

MFCD00055948

FAQ

What is (16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4)?

(16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4) is a steroid compound with the chemical formula C21H32O4. It features an epoxide group between carbon atoms 16 and 17, along with ketone functionalities at positions 3 and 20. This compound is known for its structural complexity and is often studied in pharmaceutical and biochemical research due to its potential biological activity.

What are the main uses of (16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4)?

(16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4) is primarily used in pharmaceutical research as a precursor for hormone-related drug development. It also finds applications in organic synthesis, biochemistry studies, and as a model compound for investigating steroid metabolism and reactivity.

Is (16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4) safe?

The safety of (16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4) depends on exposure conditions. While it is not classified as highly toxic, proper handling is recommended to avoid skin contact and inhalation. Safety data sheets should be consulted for specific precautions, and it is generally considered safe in controlled laboratory environments with appropriate protective measures.

How should (16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4) be stored?

(16alpha)-16,17-Epoxypregn-4-ene-3,20-dione (CAS: 1097-51-4) should be stored in a cool, dry place, protected from light. It is typically kept in tightly sealed, airtight containers. For long-term stability, refrigeration at 2-8°C is recommended to prevent degradation due to humidity or temperature fluctuations.