1,2-BIS((6-(4-(TERT-BUTYL)PHENYLSULFONAMIDO)-5-(2-METHOXYPHENOXY)-(2,2'-BIPYRIMIDIN)-4-YL)OXY)ETHANE

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

Structure Search

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

Molecular Formula	C52H52N10O10S2
Molecular Weight	1041.16
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 11:02:20 UTC 2023` Edited by `admin` on `Sat Dec 16 11:02:20 UTC 2023`
Record UNII	E37Q2R85EY
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 11:02:20 UTC 2023

PRIMARY

CAS

1097263-60-9

Created by admin on Sat Dec 16 11:02:20 UTC 2023 , Edited by admin on Sat Dec 16 11:02:20 UTC 2023

PRIMARY

RS_ITEM_NUM

1076148

Created by admin on Sat Dec 16 11:02:20 UTC 2023 , Edited by admin on Sat Dec 16 11:02:20 UTC 2023

PRIMARY

FDA UNII

E37Q2R85EY

Created by admin on Sat Dec 16 11:02:20 UTC 2023 , Edited by admin on Sat Dec 16 11:02:20 UTC 2023

PRIMARY

Related Record Type Details


					Q326023R30

BOSENTAN

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