5-O-Benzylbazedoxifene

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H40N2O3
Molecular Weight	560.7251
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C4=C1C=C(OCC5=CC=CC=C5)C=C4)C6=CC=C(O)C=C6

InChI

InChIKey=QMCBNSZDKAPTTB-UHFFFAOYSA-N

InChI=1S/C37H40N2O3/c1-28-35-25-34(42-27-30-9-5-4-6-10-30)19-20-36(35)39(37(28)31-13-15-32(40)16-14-31)26-29-11-17-33(18-12-29)41-24-23-38-21-7-2-3-8-22-38/h4-6,9-20,25,40H,2-3,7-8,21-24,26-27H2,1H3

HIDE SMILES / InChI

Molecular Formula	C37H40N2O3
Molecular Weight	560.7251
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:36:08 GMT 2025` Edited by `admin` on `Wed Apr 02 17:36:08 GMT 2025`
Record UNII	J5V8PH5X32
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-[1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-1H-indol-2-yl]phenol

Preferred Name

English

5-O-Benzylbazedoxifene

Common Name

English

5-Benzyloxy-2-(4-hydroxyphenyl)-3-methyl-1-[4-(1-azacycloheptan-1-ylethoxy)benzyl]-1H-indole

Systematic Name

English

Phenol, 4-[1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-(phenylmethoxy)-1H-indol-2-yl]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801109964

Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025

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PUBCHEM

59499289

Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025

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CAS

328933-58-0

Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025

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FDA UNII

J5V8PH5X32

Created by admin on Wed Apr 02 17:36:08 GMT 2025 , Edited by admin on Wed Apr 02 17:36:08 GMT 2025

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