Details of the Drug

General Information of Drug (ID: DM6RJOI)

Drug Name

OXENDLONE

Synonyms

oxendolone; 33765-68-3; Prostetin; 16b-Ethyl-19-nortestosterone; UNII-MN4I850D4P; TSAA-291; MN4I850D4P; NCGC00183854-01; Tsaa 291; Oxendolonum [INN-Latin]; Oxendolona [INN-Spanish]; Oxendolone [USAN:INN:JAN]; Oxendolona; Oxendolonum; 16-beta-Ethyl-19-nortestosterone; 16-Ethyl-17-hydroxyester-4-en-3-one; (8R,9S,10R,13S,14S,16S,17S)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one; 16beta-Ethyl-17beta-hydroxyestr-4-en-3-one; 16-beta-Ethyl-17-beta-hydroxyestr-4-en-3-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

302.5

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H30O2
IUPAC Name: (8R,9S,10R,13S,14S,16S,17S)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES: CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1O)C
InChI: InChI=1S/C20H30O2/c1-3-12-11-18-17-6-4-13-10-14(21)5-7-15(13)16(17)8-9-20(18,2)19(12)22/h10,12,15-19,22H,3-9,11H2,1-2H3/t12-,15-,16+,17+,18-,19-,20-/m0/s1
InChIKey: FCKLFGKATYPJPG-SSTBVEFVSA-N