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Cholest-4-en-3-one

Cholest-4-en-3-one structure

CAS No:
601-57-0
Formula:
C27H44O
Chemical Name:
Cholest-4-en-3-one
Synonyms:
Cholest-4-en-3-one;Δ4-Cholesten-3-one;Δ4-Cholestenone;3-Oxocholest-4-ene;Cholesterone;(17β)-17-Octylandrost-4-en-3-one;NSC 134926;NSC 63000;4-Cholestenone;(+)-4-Cholesten-3-one;4-Cholesten-3-one;127794-09-6;80868-58-2;378185-04-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Cholestenone is the intermediate oxidation product of cholesterol.

Δ4-Cholesten-3-one is an intestinal metabolite of Cholesterol with anti-obesity effect on animals.

Solid

Cholest-4-en-3-one is a cholestanoid that is cholest-4-ene substituted by an oxo group at position 3. It has a role as a human metabolite and a plant metabolite. It is a cholestanoid and a 3-oxo-Delta(4) steroid.

Cholest-4-en-3-one Basic Attributes

Molecular Weight：

384.638

Exact Mass：

384.64

EC Number：

210-005-1

UNII：

7T94NHD99C

DSSTox ID：

DTXSID90872379

HScode：

29142900

Characteristics

PSA：

17.07000

XLogP3：

9.36

Appearance：

Solid

Density：

1.0±0.1 g/cm3

Melting Point：

80 °C

Boiling Point：

482.7±12.0 °C at 760 mmHg

Flash Point：

247.7±10.4 °C

Refractive Index：

1.519

Water Solubility：

<0.5 g/L

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

S22-S24/25

RTECS Number：

FZ7700000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413 (97.44%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
MUTATION DATA	Sister chromatid exchange	Rectal		94 mg/kg	--	Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8(Suppl 6),41,1986

Drug Information

MeSH Entry Terms：

4-cholesten-3-one

Cholest-4-en-3-one Use and Manufacturing

Manufacturing Info：

Cholest-4-en-3-one: ACTIVE

Use Classification：

Human drugs -> Rare disease (orphan)|Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]

Computed Properties

Molecular Weight:384.6
XLogP3:8.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:384.339216023
Monoisotopic Mass:384.339216023
Topological Polar Surface Area:17.1
Heavy Atom Count:28
Complexity:630
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1232680-81-7

2469-23-0

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