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Details

Stereochemistry ACHIRAL
Molecular Formula C34H50O4
Molecular Weight 522.7584
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXESTROL DICAPRYLATE

SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)[C@@H](CC)[C@@H](CC)C2=CC=C(OC(=O)CCCCCCC)C=C2

InChI

InChIKey=JZMCTYYCJNIOBO-MEKGRNQZSA-N
InChI=1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3/t31-,32+

HIDE SMILES / InChI

Molecular Formula C34H50O4
Molecular Weight 522.7584
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Hexestrol (INN) (brand name Synoestrol, Estrifar, Estronal, numerous others), also known as hexoestrol, and dihydro-diethylstilbestrol, is a synthetic, non-steroidal estrogen of the stilbestrol group related to diethylstilbestrol that was used to treat estrogen deficiency but is now no longer employed medically. Hexestrol has also been available and used in ester form, including as hexestrol diacetate, hexestrol dicaprylate, hexestrol diphosphate, and hexestrol dipropionate.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown

Sourcing

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Rectal
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
J9DFR4IT9Z
Record Status Validated (UNII)
Record Version