Name: Hydroxy desmethyl Bosentan
Rating: 5 (10 reviews)

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HIT ID:HIT212671436
Cas No:253688-62-9
常用名:Hydroxy desmethyl Bosentan
别名:Ro 64-1056
IUPAC:4-(1-hydroxy-2-methylpropan-2-yl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
IUPAC:4-(1-hydroxy-2-methylpropan-2-yl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
InChI key:JXXCMZWROOURSZ-UHFFFAOYSA-N

分子式:C26H27N5O7S
分子量:553.59
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:3.5977423
SMILES:CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc1nc(nc(OCCO)c1Oc1ccccc1O)-c1ncccn1
SMILES:CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc1nc(nc(OCCO)c1Oc1ccccc1O)-c1ncccn1

Hydroxy desmethyl Bosentan (Ro 64-105) is a Bosentan metabolism produced by the cytochrome P450 enzymes CYP2C9 and CYP3A4 in the liver.

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