AG001EY6

147536-97-8 | Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-

AG001EY6

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CAS Number	147536-97-8
Catalog Number	AG001EY6(AGN-PC-0509FE)
Chemical Name	Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-
IUPAC Name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
InChI	InChI=1S/C27H29N5O6S/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)
InChI Key	GJPICJJJRGTNOD-UHFFFAOYSA-N
MDL Number	MFCD00867375
Molecular Formula	C27H29N5O6S
Molecular Weight	551.6141
SMILES	O=S(NC1=NC(C2=NC=CC=N2)=NC(OCCO)=C1OC3=CC=CC=C3OC)(C4=CC=C(C(C)(C)C)C=C4)=O
UNII	XUL93R30K2
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, 147536-97-8, Tracleer, Actelion, Ro 47-0203, bosentanum, Ro-47-0203, Bosentan [USAN:INN:BAN], C27H29N5O6S, UNII-XUL93R30K2, p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide, Ro 47-0203/039, CHEMBL957, XUL93R30K2, CHEBI:51450, 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide, NCGC00167440-01, DSSTox_CID_26627, DSSTox_RID_81776, DSSTox_GSID_46627, 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide, 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide, Bosentan (INN), 174227-18-0, 4-(tert-butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide, CAS-147536-97-8, SR-05000001532, 4-tert-butyl-n-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, KS-5062, PubChem19119, Ro-47-0203/029, Ro-47-0203/039, AC1L2XN2, SCHEMBL4218, 4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide, GTPL3494, DTXSID7046627, CTK4D4929, GJPICJJJRGTNOD-UHFFFAOYSA-N, HMS2090N14, HMS3652F15, HMS3715N05, BCP05202, HY-A0013, ZINC1538857, Tox21_112444, ABP001094, AC-148, BDBM50061101, PDSP1_001731, PDSP2_001714, s4220, AKOS015852063, Tox21_112444_1, ACN-048487, AM84442, BCP9000445, CCG-221182, CS-0381, DB00559, MCULE-3074160312, SB17356, VA10428, NCGC00167440-02, AN-16081, EN002863, LS-31532, SC-19679, AB0018010, Ro-470203029, TL8001039, B5118, FT-0658809, SW199648-3, Ro-47-0203-029, D07538, W-5165, AB01275536-01, 144096-EP2287165A2, 144096-EP2287166A2, 144096-EP2292620A2, 212B550, A808658, L001086, I06-1873, J-008366, SR-05000001532-1, SR-05000001532-2, SR-05000001532-4, Z1541632805, 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2''-bipyrimidin)-4-yl) benzenesulfornamide, 4-(1,1-dimethylethyl)-n-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide, 4-(tert-Butyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide, 4-tert butyl-N-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidin-6-yl]benzenesulphonamide, 4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidine]-4-yl]benzene-1-sulfonamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2''-bipyrimidin-4-yl]benzenesulfonamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide, 4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzenesulfonamide, 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide, K86, Bosentan hydrate, stayveer, bosentan monohydrate, bosentan anhydrous, Tracleer (TN), BENZENESULFONAMIDE, D0U4CE, C27-H29-N5-O6-S, CID104865, CS-O-11321, p-tert-Butyl-N-[6-(2-hydroxyethoxy), Ro 470203, Ro 47 0203, R134, B1682, A11091, C086232, 157212-55-0, D000077300, Bosentan, 99%, a endothelin (ET) receptor antagonist - 10mg 10mg,

Complexity	839
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	551.184g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	551.618g/mol
Monoisotopic Mass	551.184g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	154A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H361-H410
Packing Group	Ⅲ
Precautionary statements	P273-P281
UN Code	UN 3077

Certificate of Analysis

Lot Number