4'-HYDROXYOSPEMIFENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H23ClO3
Molecular Weight	394.891
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCCOC1=CC=C(C=C1)C(=C(\CCCl)C2=CC=CC=C2)\C3=CC=C(O)C=C3

InChI

InChIKey=ISISSTPNAJAQFE-VHXPQNKSSA-N

InChI=1S/C24H23ClO3/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,26-27H,14-17H2/b24-23-

HIDE SMILES / InChI

Molecular Formula	C24H23ClO3
Molecular Weight	394.891
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:09:54 UTC 2023` Edited by `admin` on `Sat Dec 16 15:09:54 UTC 2023`
Record UNII	8QE6RRB4CR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-HYDROXYOSPEMIFENE

Common Name

English

PHENOL, 4-(4-CHLORO-1-(4-(2-HYDROXYETHOXY)PHENYL)-2-PHENYL-1-BUTENYL)-, (Z)-

Systematic Name

English

PHENOL, 4-((1Z)-4-CHLORO-1-(4-(2-HYDROXYETHOXY)PHENYL)-2-PHENYL-1-BUTEN-1-YL)-

Systematic Name

English

FC 1272

Code

English

OSPEMIFENE METABOLITE M2

Common Name

English

4-((1Z)-4-CHLORO-1-(4-(2-HYDROXYETHOXY)PHENYL)-2-PHENYL-1-BUTEN-1-YL)PHENOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

3036504

Created by admin on Sat Dec 16 15:09:55 UTC 2023 , Edited by admin on Sat Dec 16 15:09:55 UTC 2023

PRIMARY

FDA UNII

8QE6RRB4CR

Created by admin on Sat Dec 16 15:09:55 UTC 2023 , Edited by admin on Sat Dec 16 15:09:55 UTC 2023

PRIMARY

CAS

128585-01-3

Created by admin on Sat Dec 16 15:09:55 UTC 2023 , Edited by admin on Sat Dec 16 15:09:55 UTC 2023

PRIMARY

Related Record Type Details


					B0P231ILBK

OSPEMIFENE

PARENT -> METABOLITE

Comments:

4’-hydroxyospemifene (M2) is the major metabolite with a serum concentration of approximately 7% of ospemifene.

Interaction Type:

MAJOR