Name: Hydroxy bosentan
Rating: 5 (10 reviews)

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HIT ID:HIT212671435
Cas No:253688-60-7
常用名:Hydroxy bosentan
别名:Ro 48-5033
IUPAC:4-(1-hydroxy-2-methylpropan-2-yl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
IUPAC:4-(1-hydroxy-2-methylpropan-2-yl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide
InChI key:FAJQMBCLPZWTQJ-UHFFFAOYSA-N

分子式:C27H29N5O7S
分子量:567.62
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:3.6811087
SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)nc(nc1OCCO)-c1ncccn1
SMILES:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)nc(nc1OCCO)-c1ncccn1

Hydroxy bosentan (Ro 48-5033) is a primary metabolite of Bosentan (BOS) metabolized by the cytochrome P450 system in the liver, assisting BOS pharmacologically with 10%-20% activity retention.

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