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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 of HYDROXYBOSENTAN

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 Thu Jul 06 19:35:13 UTC 2023
Edited
by admin
on Thu Jul 06 19:35:13 UTC 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 Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
FDA UNII
VZ7YNJ87XH
Created by admin on Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
PUBCHEM
6426755
Created by admin on Thu Jul 06 19:35:13 UTC 2023 , Edited by admin on Thu Jul 06 19:35:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Major metabolite.
MAJOR
FECAL; PLASMA; URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

Tmax PHARMACOKINETIC ORAL ADMINISTRATION