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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O4
Molecular Weight 348.4764
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALFADOLONE

SMILES

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

InChI

InChIKey=XWYBFXIUISNTQG-VKMGZQQJSA-N
InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O4
Molecular Weight 348.4764
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Alfadolone or alphadolone is an oral neurosteroid, which can be useful as an analgesic.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Controlled sedation with alphaxalone-alphadolone.
1974 Jun 22
Antinociceptive properties of neurosteroids IV: pilot study demonstrating the analgesic effects of alphadolone administered orally to humans.
2001 Apr
Antinociceptive properties of neurosteroids III: experiments with alphadolone given intravenously, intraperitoneally, and intragastrically.
2001 May
Prevention and reversal of morphine tolerance by the analgesic neuroactive steroid alphadolone.
2009 Jul-Aug

Sample Use Guides

alphadolone (25-500 mg, n = 9) or placebo (lactose, n = 5) given orally 1 h after operation
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:15:22 UTC 2023
Edited
by admin
on Sat Dec 16 16:15:22 UTC 2023
Record UNII
OE1C96974E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALFADOLONE
INN   WHO-DD  
INN  
Official Name English
3.ALPHA.,21-DIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE
Systematic Name English
ALPHADOLONE
Common Name English
Alfadolone [WHO-DD]
Common Name English
GR-2/1574
Code English
alfadolone [INN]
Common Name English
GR 2/1574
Code English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C72167
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
ECHA (EC/EINECS)
237-961-2
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
FDA UNII
OE1C96974E
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
EVMPD
SUB05314MIG
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
WIKIPEDIA
ALFADOLONE
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
MESH
C033418
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID50101638
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
SMS_ID
100000087872
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
PUBCHEM
9798416
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
CAS
14107-37-0
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
INN
3216
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104019
Created by admin on Sat Dec 16 16:15:22 UTC 2023 , Edited by admin on Sat Dec 16 16:15:22 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY