ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O4
Molecular Weight	350.4923
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](O)CC[C@]34C

InChI

InChIKey=UPTAPIKFKZGAGM-NWIHUDFTSA-N

InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Description
Sources: http://www.google.ch/patents/US6245757 | https://www.google.com/patents/US8614203 | http://www.drugfuture.com/chemdata/Allopregnane-3beta-17alpha-21-triol-20-one.html

ALLOPREGNANE-3β,17α,21-TRIOL-20-ONE is a bioactive progestin proposed for the treatment of ischemic damage, such as damage due to stroke or myocardial infarction and, as the neuroactive steroid, for the treatment of epilepsy or status epilepticus.

Originator

Approval Year

Conditions

Condition	Modality	Highest Phase	Product
Stroke 144 Sources: http://www.google.ch/patents/US6245757 https://www.google.com/patents/US8614203	Primary	Preclinical	Unknown Approved Use Unknown
Epilepsy 121 Sources: https://www.google.com/patents/US20140057885	Primary	Not Provided 504	Unknown Approved Use Unknown
Myocardial infarction 121 Sources: http://www.google.ch/patents/US6245757	Primary	Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Radioimmunoassays of tetrahydroaldosterone (TH-aldo) in human urine.	1978 Mar	580148

Patents

Sample Use Guides

In Vivo Use Guide

Rat: 4.0 mg/kg 30 minutes before Middle cerebral artery occlusion (MCAO). The remaining injections (all 4.0 mg/kg) were given at 6 and 24 hours after MCAO, respectively.

Route of Administration: Intraperitoneal

In Vitro Use Guide

Unknown

Name

Type

Language

ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE

Common Name

English

ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE [MI]

Common Name

English

3.BETA.,17,21-TRIHYDROXY-5.ALPHA.-PREGNAN-20-ONE

Systematic Name

English

5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,17,21-TRIHYDROXY-

Systematic Name

English

PREGNAN-20-ONE, 3,17,21-TRIHYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

PREGNAN-20-ONE, 3.BETA.,17,21-TRIHYDROXY-

Systematic Name

English

(+)-ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE

Common Name

English

REICHSTEIN'S SUBSTANCE P

Common Name

English

3.BETA.,17.ALPHA.,21-TRIHYDROXY-5.ALPHA.-PREGNAN-20-ONE

Common Name

English

Code System Code Type Description

FDA UNII

B2U92ZJ86E