WAY-160546

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H34N2O4
Molecular Weight	486.602
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(OCC[N+]3([O-])CCCCCC3)C=C2)C4=CC=C(O)C=C14)C5=CC=C(O)C=C5

InChI

InChIKey=CFBANWAZVCOMGU-UHFFFAOYSA-N

InChI=1S/C30H34N2O4/c1-22-28-20-26(34)12-15-29(28)31(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)36-19-18-32(35)16-4-2-3-5-17-32/h6-15,20,33-34H,2-5,16-19,21H2,1H3

HIDE SMILES / InChI

Molecular Formula	C30H34N2O4
Molecular Weight	486.602
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 `Sat Dec 16 16:00:47 GMT 2023` Edited by `admin` on `Sat Dec 16 16:00:47 GMT 2023`
Record UNII	SHJ3JJ98O2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WAY-160546

Common Name

English

1H-INDOL-5-OL, 1-((4-(2-(HEXAHYDRO-1-OXIDO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-2-(4-HYDROXYPHENYL)-3-METHYL-

Systematic Name

English

2-(4-HYDROXYPHENYL)-3-METHYL-1-((4-(2-(1-OXIDOAZEPAN-1-IUM-1-YL)ETHOXY)PHENYL)METHYL)INDOL-5-OL

Systematic Name

English

1-((4-(2-(HEXAHYDRO-1-OXIDO-1H-AZEPIN-1-YL)ETHOXY)PHENYL)METHYL)-2-(4-HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-OL

Systematic Name

English

Code System Code Type Description

FDA UNII

SHJ3JJ98O2

Created by admin on Sat Dec 16 16:00:47 GMT 2023 , Edited by admin on Sat Dec 16 16:00:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID90732202

Created by admin on Sat Dec 16 16:00:47 GMT 2023 , Edited by admin on Sat Dec 16 16:00:47 GMT 2023

PRIMARY

PUBCHEM

59499290

Created by admin on Sat Dec 16 16:00:47 GMT 2023 , Edited by admin on Sat Dec 16 16:00:47 GMT 2023

PRIMARY

CAS

1174289-22-5

Created by admin on Sat Dec 16 16:00:47 GMT 2023 , Edited by admin on Sat Dec 16 16:00:47 GMT 2023

PRIMARY

Related Record Type Details


					Q16TT9C5BK

BAZEDOXIFENE

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL