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Algestone

Algestone structure

CAS No:
595-77-7
Formula:
C21H30O4
Chemical Name:
Algestone
Synonyms:
Pregn-4-ene-3,20-dione,16,17-dihydroxy-,(16α)-;Pregn-4-ene-3,20-dione,16α,17-dihydroxy-;(16α)-16,17-Dihydroxypregn-4-ene-3,20-dione;Alfasone;16α,17α-Dihydroxyprogesterone;Alphasone;Algestone;4-Pregnen-16α,17α-diol-3,20-dione;16α,17-Dihydroxyprogesterone;16α,17α-Dihydroxypregn-4-ene-3,20-dione;22945-39-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17.

Algestone is a C21-steroid that is pregn-4-ene substituted by oxo groups at position 3 and 20 and hydroxy groups at positions 16 and 17. It has a role as a progestin. It is a 20-oxo steroid, a 16alpha-hydroxy steroid, a 17-hydroxy steroid, a C21-steroid, a 3-oxo-Delta(4) steroid and a tertiary alpha-hydroxy ketone. It derives from a hydride of a pregnane.|A synthetic progestational dihydroxy derivative of PROGESTERONE. Its acetonide possesses anti-inflammatory properties.

Algestone Basic Attributes

Molecular Weight：

346.46

Exact Mass：

346.46

EC Number：

209-869-2

UNII：

3JEB53B3WT

DSSTox ID：

DTXSID40208200

Characteristics

PSA：

74.6

XLogP3：

2.80920

Density：

1.21 g/cm3

Melting Point：

225 °C

Boiling Point：

503.4ºC at 760 mmHg

Refractive Index：

1.576

Specific rotation：

D22 +95° (c = 0.81 in CHCl3)

Safety Information

GHS Classification：

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Oral contraceptives which owe their effectiveness to hormonal preparations. (See all compounds classified as Contraceptives, Oral, Hormonal.)|Oral contraceptives which owe their effectiveness to synthetic preparations. (See all compounds classified as Contraceptives, Oral, Synthetic.)|Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY. (See all compounds classified as Progestins.)

MeSH Entry Terms：

16 alpha,17-Dihydroxypregn-4-ene-3,20-dione

Algestone Use and Manufacturing

Uses

A pregnane steroid, its acetonide is used as anti-inflammatory drug (topical) and combination with enanthate as injectable contraceptive.

Use Classification：

Lipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

Computed Properties

Molecular Weight:346.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:346.21440943
Monoisotopic Mass:346.21440943
Topological Polar Surface Area:74.6
Heavy Atom Count:25
Complexity:667
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Algestone

CAS No.: 595-77-7

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