HYDROXYBOSENTAN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29N5O7S
Molecular Weight	567.613
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=CC=C1OC2=C(NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)CO)N=C(N=C2OCCO)C4=NC=CC=N4

InChI

InChIKey=FAJQMBCLPZWTQJ-UHFFFAOYSA-N

InChI=1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C27H29N5O7S
Molecular Weight	567.613
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 13:59:12 GMT 2023` Edited by `admin` on `Sat Dec 16 13:59:12 GMT 2023`
Record UNII	VZ7YNJ87XH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HYDROXYBOSENTAN

Common Name

English

BOSENTAN METABOLITE RO 48-5033

Common Name

English

4-(2-HYDROXY-1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)BENZENESULFONAMIDE

Systematic Name

English

RO 48-8634

Code

English

RO 48-5033

Code

English

BENZENESULFONAMIDE, 4-(2-HYDROXY-1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-

Systematic Name

English

Code System Code Type Description

CAS

253688-60-7

Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023

PRIMARY

FDA UNII

VZ7YNJ87XH

Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023

PRIMARY

PUBCHEM

6426755

Created by admin on Sat Dec 16 13:59:12 GMT 2023 , Edited by admin on Sat Dec 16 13:59:12 GMT 2023

PRIMARY

Related Record Type Details


					XUL93R30K2

BOSENTAN ANHYDROUS

PARENT -> METABOLITE ACTIVE

Comments:

Major metabolite.

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	ORAL ADMINISTRATION

Tmax	PHARMACOKINETIC	ORAL ADMINISTRATION