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(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione

(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione structure

CAS No:
23930-37-2
Formula:
C23H34O5
Chemical Name:
(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione
Synonyms:
Pregnane-11,20-dione,21-(acetyloxy)-3-hydroxy-,(3α,5α)-;5α-Pregnane-11,20-dione,3α,21-dihydroxy-,21-acetate;(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione;21-Acetoxy-3α-hydroxy-5α-pregnane-11,20-dione;Alphadolone acetate;Alfadolone acetate;GR 2/1574;(3α,5α)-3-Hydroxy-11,20-dioxopregnan-21-yl acetate

Description

Acetic acid [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester is a corticosteroid hormone.

(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione Basic Attributes

Molecular Weight：

390.51306

Exact Mass：

390.51

EC Number：

245-942-5

UNII：

00TN4GS00S

DSSTox ID：

DTXSID7045443

Characteristics

PSA：

80.7

XLogP3：

3.2

Density：

1.164±0.06 g/cm3(Predicted)

Melting Point：

176 °C

Boiling Point：

523.6ºC at 760mmHg

Flash Point：

175.1ºC

Refractive Index：

1.53

Vapor Pressure：

3.75E-13mmHg at 25°C

Specific rotation：

D26 +97° (c = 1.02 in chloroform)

Drug Information

MeSH：

Agents that are capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site. (See all compounds classified as Anesthetics.)|Endogenous compounds or drugs that affect neuronal excitability through modulation of specific ionotropic receptors (e.g., GABA-A RECEPTORS). Endogenous neurosteroids are steroid hormones de novo synthesized by neurons and glial cells from steroid metabolite precursors (e.g., PREGNENOLONE). (See all compounds classified as Neurosteroids.)

MeSH Entry Terms：

21-acetoxy-3-alpha-hydroxy-5-alpha-pregnane-11,20-dione

Computed Properties

Molecular Weight:390.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:390.24062418
Monoisotopic Mass:390.24062418
Topological Polar Surface Area:80.7
Heavy Atom Count:28
Complexity:687
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione

SDS

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