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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRAHYDROGESTRINONE

SMILES

[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC3=C4CCC(=O)C=C4CC[C@@]23[H]

InChI

InChIKey=OXHNQTSIKGHVBH-ANULTFPQSA-N
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
A concentration addition model for the activation of the constitutive androstane receptor by xenobiotic mixtures.
2009 Jan
The androgenic anabolic steroid tetrahydrogestrinone produces dioxin-like effects via the aryl hydrocarbon receptor.
2012 Oct
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:55:38 UTC 2023
Edited
by admin
on Sat Dec 16 07:55:38 UTC 2023
Record UNII
643MR6L9LB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAHYDROGESTRINONE
MI  
Common Name English
13.BETA.,17.ALPHA.-DIETHYL-17.BETA.-HYDROXYGON-4,9,11-TRIEN-3-ONE
Systematic Name English
18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE, 13-ETHYL-17-HYDROXY-, (17.ALPHA.)-
Systematic Name English
TETRAHYDROGESTRINONE [MI]
Common Name English
THG
Common Name English
(17.ALPHA.)-13-ETHYL-17-HYDROXY-18,19-DINORPREGNA-4,9,11-TRIEN-3-ONE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Tetrahydrogestrinone
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
DEA NO. 4000
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
Code System Code Type Description
FDA UNII
643MR6L9LB
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY
MERCK INDEX
m10629
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID60210901
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY
CAS
618903-56-3
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY
PUBCHEM
6857686
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY
DRUG BANK
DB06870
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY
WIKIPEDIA
Tetrahydrogestrinone
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY
SMS_ID
300000036282
Created by admin on Sat Dec 16 07:55:38 UTC 2023 , Edited by admin on Sat Dec 16 07:55:38 UTC 2023
PRIMARY