ISOESTRADIOL, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H24O2
Molecular Weight	272.382
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@]23[H])C=C(O)C=C4

InChI

InChIKey=VOXZDWNPVJITMN-FPSMNIFISA-N

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26716744
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/6479318 | https://www.ncbi.nlm.nih.gov/pubmed/3899717

Epiestradiol is an estradiol isomer with weak estrogenic activity.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor alpha 127 Target ID: CHEMBL206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12077849	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
[Pharmacological activity of modified analogs of steroid estrogens. Racemic 8-isoestradiol].	1984 Jul-Aug	6479318

Patents

Sample Use Guides

In Vivo Use Guide

Rats were treated with 0.5mk/kg for 30 days

Route of Administration: Oral

In Vitro Use Guide

Unknown

Name

Type

Language

ISOESTRADIOL, (±)-

Common Name

English

ISOESTRADIOL DL-FORM [MI]

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, (8.ALPHA.,17.BETA.)-(±)-

Systematic Name

English

(8.ALPHA.,17.BETA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, (±)-

Systematic Name

English

DL-8-ISO-3,17.BETA.-ESTRADIOL

Common Name

English

DL-8-ISOESTRADIOL

Common Name

English

(±)-8-ISOESTRADIOL

Common Name

English

Code System Code Type Description

CAS

19669-82-0

Created by admin on Sat Dec 16 10:01:41 GMT 2023 , Edited by admin on Sat Dec 16 10:01:41 GMT 2023

PRIMARY

FDA UNII

1BAQ18C647

Created by admin on Sat Dec 16 10:01:41 GMT 2023 , Edited by admin on Sat Dec 16 10:01:41 GMT 2023

PRIMARY

PUBCHEM

7061189

Created by admin on Sat Dec 16 10:01:41 GMT 2023 , Edited by admin on Sat Dec 16 10:01:41 GMT 2023

PRIMARY

MERCK INDEX

m6482

Created by admin on Sat Dec 16 10:01:41 GMT 2023 , Edited by admin on Sat Dec 16 10:01:41 GMT 2023

PRIMARY

Merck Index

SUBSTANCE RECORD


					1BAQ18C647

ISOESTRADIOL, (±)-

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/26716744Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/6479318 | https://www.ncbi.nlm.nih.gov/pubmed/3899717

Originator

Approval Year

Targets

Conditions

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26716744
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/6479318 | https://www.ncbi.nlm.nih.gov/pubmed/3899717