AG001PAX

157212-55-0 | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide hydrate

AG001PAX

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CAS Number	157212-55-0
Catalog Number	AG001PAX(AGN-PC-0Q79RE)
Chemical Name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide hydrate
IUPAC Name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate
InChI	InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2
InChI Key	SXTRWVVIEPWAKM-UHFFFAOYSA-N
MDL Number	MFCD09751188
Molecular Formula	C27H31N5O7S
Molecular Weight	569.6293
SMILES	O=S(C1=CC=C(C(C)(C)C)C=C1)(NC2=NC(C3=NC=CC=N3)=NC(OCCO)=C2OC4=CC=CC=C4OC)=O.[H]O[H]
UNII	Q326023R30
Synonyms	4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide, bosentan, bosentan anhydrous, bosentan monohydrate, Ro 47 0203, Ro 47-0203, Ro 470203, Ro-47-0203, Tracleer, Bosentan hydrate, 157212-55-0, bosentan monohydrate, 4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrate, Bosentan (hydrate), UNII-Q326023R30, 4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamid, AK-72793, Q326023R30, 4-tert-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide hydrate, C27H31N5O7S, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide hydrate, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide hydrate, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate, bosetan, bosentan-hydrate, Tracleer (TN), Bosentan (USAN), Bosentan hydrate (JAN), AC1L4GWR, AC1Q6TW8, MLS004774049, SCHEMBL617167, Tracleer, Bosentan monohydrate, bosentan hydratesee b675900, CHEBI:31300, CTK8C4722, HY-A0013A, SXTRWVVIEPWAKM-UHFFFAOYSA-N, HMS3651P16, BCP07069, CS-M0881, Bosentan hydrate, >=98% (HPLC), AN-611, ANW-72908, GP5893, MFCD09751188, s3051, AKOS015897290, AC-4265, ACN-040051, API0001751, CS-1265, KS-1231, MP-1074, RP17788, RTR-031836, SB17357, 1196074-08-4, 4-tert-butyl-n-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzolsulfonamidhydrat, AT-15839, BC209018, BR-72793, SMR003500718, AB0020798, AX8118644, TL8001188, 4CH-007113, B-170, FT-0657493, ST24028843, SW199648-2, V1812, KS-00000653, Ro 47-0203/029, A14944, D01227, I09-0542, J-513868, 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)benzenesulfonamide monohydrate, 4-(tert-butyl)-n-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfona, 4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2;-bipyrimidin]-4-yl)benzenesulfonamide hydrate, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide hydrate, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate., Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, monohydrate, p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide monohydrate, Bosentan, stayveer, Actelion, Tracleer, Bosentan [USAN], BENZENESULFONAMIDE, Bosentan [USAN:INN:BAN], Benzenemethanamine, 2-nitro-, (XYL)2P(O)H, C27H29N5O6S.H2O, AR-1G4717, CID185462, CS-O-00970, CS-O-06162, Ro 47-0203, C27-H29-N5-O6-S.H2-O, 2434H, B1521, 147536-97-8, 1940-64-3, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, hydrate (1:1),

Complexity	839
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	569.194g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	569.633g/mol
Monoisotopic Mass	569.194g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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