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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9.BETA.,10.ALPHA.,17.ALPHA.-PREGNA-4,6-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@@H](C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]2([H])C=CC4=CC(=O)CC[C@@]34C

InChI

InChIKey=JGMOKGBVKVMRFX-POHNSKBLSA-N
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18-,19+,20+,21+/m0/s1

HIDE SMILES / InChI
9β,10α,17α-pregna-4,6-diene-3,20-dione ((8S,9R,10S,13S,14S,17R)-17-Acetyl-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one) is an isomer of Dydrogesterone, a synthetic progestin largely used in hormone therapy, on the central nervous system by studying two markers of the neuroendocrine function. 9β,10α,17α-pregna-4,6-diene-3,20-dione is one of major impurities of dydrogesterone. The physiological and toxicological properties of this compound have not been evaluated in humans.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Comparative spectra analysis (CoSA): spectra as three-dimensional molecular descriptors for the prediction of biological activities.
1999 Sep-Oct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
9.BETA.,10.ALPHA.,17.ALPHA.-PREGNA-4,6-DIENE-3,20-DIONE
Systematic Name English
PREGNA-4,6-DIENE-3,20-DIONE, (9.BETA.,10.ALPHA.,17.ALPHA.)-
Systematic Name English
DYDROGESTERONE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
S48G465CS3
Created by admin on Sat Dec 16 04:01:48 GMT 2023 , Edited by admin on Sat Dec 16 04:01:48 GMT 2023
PRIMARY
CAS
246038-13-1
Created by admin on Sat Dec 16 04:01:48 GMT 2023 , Edited by admin on Sat Dec 16 04:01:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID70179353
Created by admin on Sat Dec 16 04:01:48 GMT 2023 , Edited by admin on Sat Dec 16 04:01:48 GMT 2023
PRIMARY
PUBCHEM
1547487
Created by admin on Sat Dec 16 04:01:48 GMT 2023 , Edited by admin on Sat Dec 16 04:01:48 GMT 2023
PRIMARY