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Details

Stereochemistry ACHIRAL
Molecular Formula C52H52N10O10S2
Molecular Weight 1041.16
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-BIS((6-(4-(TERT-BUTYL)PHENYLSULFONAMIDO)-5-(2-METHOXYPHENOXY)-(2,2'-BIPYRIMIDIN)-4-YL)OXY)ETHANE

SMILES

COC1=CC=CC=C1OC2=C(OCCOC3=NC(=NC(NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)=C3OC5=C(OC)C=CC=C5)C6=NC=CC=N6)N=C(N=C2NS(=O)(=O)C7=CC=C(C=C7)C(C)(C)C)C8=NC=CC=N8

InChI

InChIKey=WJWCTRNSPLUHTB-UHFFFAOYSA-N
InChI=1S/C52H52N10O10S2/c1-51(2,3)33-19-23-35(24-20-33)73(63,64)61-43-41(71-39-17-11-9-15-37(39)67-7)49(59-47(57-43)45-53-27-13-28-54-45)69-31-32-70-50-42(72-40-18-12-10-16-38(40)68-8)44(58-48(60-50)46-55-29-14-30-56-46)62-74(65,66)36-25-21-34(22-26-36)52(4,5)6/h9-30H,31-32H2,1-8H3,(H,57,59,61)(H,58,60,62)

HIDE SMILES / InChI

Approval Year

Name Type Language
1,2-BIS((6-(4-(TERT-BUTYL)PHENYLSULFONAMIDO)-5-(2-METHOXYPHENOXY)-(2,2'-BIPYRIMIDIN)-4-YL)OXY)ETHANE
Systematic Name English
N,N'-(1,2-ETHANEDIYLBIS(OXY(5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDINE)-6,4-DIYL)))BIS(4-(1,1-DIMETHYLETHYL)BENZENESULFONAMIDE)
Systematic Name English
BOSENTAN RELATED COMPOUND C [USP-RS]
Common Name English
BENZENESULFONAMIDE, N,N'-(1,2-ETHANEDIYLBIS(OXY(5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDINE)-6,4-DIYL)))BIS(4-(1,1-DIMETHYLETHYL)-
Systematic Name English
BOSENTAN RELATED COMPOUND C
Common Name English
Code System Code Type Description
PUBCHEM
59509251
Created by admin on Sat Dec 16 11:02:20 GMT 2023 , Edited by admin on Sat Dec 16 11:02:20 GMT 2023
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CAS
1097263-60-9
Created by admin on Sat Dec 16 11:02:20 GMT 2023 , Edited by admin on Sat Dec 16 11:02:20 GMT 2023
PRIMARY
RS_ITEM_NUM
1076148
Created by admin on Sat Dec 16 11:02:20 GMT 2023 , Edited by admin on Sat Dec 16 11:02:20 GMT 2023
PRIMARY
FDA UNII
E37Q2R85EY
Created by admin on Sat Dec 16 11:02:20 GMT 2023 , Edited by admin on Sat Dec 16 11:02:20 GMT 2023
PRIMARY