U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H36O3
Molecular Weight 408.574
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINGESTANOL ACETATE

SMILES

C#C[C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4([H])[C@@]3([H])CC[C@@]21C)OC5CCCC5)OC(=O)C

InChI

InChIKey=FLGJKPPXEKYCBY-AKCFYGDASA-N
InChI=1S/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3/t22-,23+,24+,25-,26-,27-/m0/s1

HIDE SMILES / InChI
Quingestanol is a metabolite of the quingestanol acetate, oral contraceptive, which was studied for therapy of menopausal diabetic women. Quingestanol is also a prodrug of norethisterone, which is used in birth control.

Approval Year

PubMed

PubMed

TitleDatePubMed
Further experience with a once-a-month oral contraceptive: quinestrol-quingestanol.
1972 Oct
Quingestanol acetate metabolism in women.
1974
Patents

Patents

Name Type Language
QUINGESTANOL ACETATE
USAN   WHO-DD  
USAN  
Official Name English
QUINGESTANOL ACETATE [USAN]
Common Name English
3-(CYCLOPENTYLOXY)-19-NOR-17.ALPHA.-PREGNA-3,5-DIEN-20-YN-17-OL ACETATE
Common Name English
QUINGESTANOL ACETATE [WHO-DD]
Common Name English
19-NORPREGNA-3,5-DIEN-20-YN-17-OL, 3-(CYCLOPENTYLOXY)-, ACETATE, (17.ALPHA.)-
Common Name English
W 4540
Code English
W-4540
Code English
Classification Tree Code System Code
NCI_THESAURUS C776
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
Code System Code Type Description
PUBCHEM
18142
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
ECHA (EC/EINECS)
221-078-4
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
DRUG CENTRAL
2345
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
FDA UNII
M33GGZ63KG
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
CAS
3000-39-3
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
ChEMBL
CHEMBL2105291
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
NCI_THESAURUS
C152125
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
DRUG BANK
DB14679
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY
EVMPD
SUB04165MIG
Created by admin on Sat Jun 26 13:27:16 UTC 2021 , Edited by admin on Sat Jun 26 13:27:16 UTC 2021
PRIMARY