ESTROFURATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H26O4
Molecular Weight	378.4608
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C3=COC=C3)[C@@]1(C)CC[C@]4([H])C5=CC=C(OC(C)=O)C=C5CC=C24

InChI

InChIKey=AEVUURWLDCELOV-AYVPJYCDSA-N

InChI=1S/C24H26O4/c1-15(25)28-18-4-6-19-16(13-18)3-5-21-20(19)7-10-23(2)22(21)8-11-24(23,26)17-9-12-27-14-17/h4-6,9,12-14,20,22,26H,3,7-8,10-11H2,1-2H3/t20-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H26O4
Molecular Weight	378.4608
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5 | https://www.ncbi.nlm.nih.gov/pubmed/1120993 | https://www.ncbi.nlm.nih.gov/pubmed/5421116 | https://www.ncbi.nlm.nih.gov/pubmed/4182486

Estrofurate (AY-11483) is an impeded estrogen. it prevents ovulation and implantation.

Originator

Approval Year

PubMed

Title	Date	PubMed
Orally active oestrogens and progestins in prevention of pregnancy in rats.	1969 Apr	4182486

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:38:49 GMT 2023` Edited by `admin` on `Fri Dec 15 16:38:49 GMT 2023`
Record UNII	0CDE7T54KW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTROFURATE

Official Name

English

19,24-DINORCHOLA-1,3,5(10),7,20,22-HEXAENE-3,17-DIOL, 21,23-EPOXY-, 3-ACETATE, (17.ALPHA.)-

Common Name

English

estrofurate [INN]

Common Name

English

ESTROFURATE [USAN]

Common Name

English

AY-11483

Code

English

AY-11,483

Code

English

21,23-Epoxy-19,24-dinor-17α-chola-1,3,5(10),7,20,22-hexaene-3,17-diol 3-acetate

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2181