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Details

Stereochemistry ACHIRAL
Molecular Formula C25H25N5O5S
Molecular Weight 507.562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESHYDROXYETHYL BOSENTAN

SMILES

COC1=C(OC2=C(NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)NC(=NC2=O)C4=NC=CC=N4)C=CC=C1

InChI

InChIKey=REEANFGHAAWSIZ-UHFFFAOYSA-N
InChI=1S/C25H25N5O5S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)30-21-20(35-19-9-6-5-8-18(19)34-4)24(31)29-23(28-21)22-26-14-7-15-27-22/h5-15H,1-4H3,(H2,28,29,30,31)

HIDE SMILES / InChI

Molecular Formula C25H25N5O5S
Molecular Weight 507.562
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 11:02:19 UTC 2023
Edited
by admin
on Sat Dec 16 11:02:19 UTC 2023
Record UNII
9B7A5GJ8V8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESHYDROXYETHYL BOSENTAN
Common Name English
BENZENESULFONAMIDE, N-(1,6-DIHYDRO-5-(2-METHOXYPHENOXY)-6-OXO(2,2'-BIPYRIMIDIN)-4-YL)-4-(1,1-DIMETHYLETHYL)-
Systematic Name English
N-(1,6-DIHYDRO-5-(2-METHOXYPHENOXY)-6-OXO(2,2'-BIPYRIMIDIN)-4-YL)-4-(1,1-DIMETHYLETHYL)BENZENESULFONAMIDE
Systematic Name English
4-TERT-BUTYL-N-(6-HYDROXY-5-(2-METHOXYPHENOXY)-2,2'-BIPYRIMIDIN-4-YL)BENZENESULFONAMIDE
Common Name English
Code System Code Type Description
PUBCHEM
136345352
Created by admin on Sat Dec 16 11:02:19 UTC 2023 , Edited by admin on Sat Dec 16 11:02:19 UTC 2023
PRIMARY
FDA UNII
9B7A5GJ8V8
Created by admin on Sat Dec 16 11:02:19 UTC 2023 , Edited by admin on Sat Dec 16 11:02:19 UTC 2023
PRIMARY
CAS
174227-14-6
Created by admin on Sat Dec 16 11:02:19 UTC 2023 , Edited by admin on Sat Dec 16 11:02:19 UTC 2023
PRIMARY
RS_ITEM_NUM
1076137
Created by admin on Sat Dec 16 11:02:19 UTC 2023 , Edited by admin on Sat Dec 16 11:02:19 UTC 2023
PRIMARY
Related Record Type Details
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