Details of the Drug

General Information of Drug (ID: DMS1EQ7)

Drug Name

PF-1228305

Synonyms

Sitaxentan sodium; Sitaxsentan sodium

Indication

Disease Entry	ICD 11	Status	REF
Pulmonary hypertension	BB01	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

476.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C18H14ClN2NaO6S2
IUPAC Name: sodium;(4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
Canonical SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]
InChI: InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1
InChIKey: MDTNUYUCUYPIHE-UHFFFAOYSA-N