API0233492
Macrocyclon
Macitentan is used for pulmonary arterial hypertension.
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CAS No.
25301-02-4
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Synonyms
Tyloxapol; 25301-02-4; Macrocyclon
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Molecule Type
Small molecule
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Compound CID
71388
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Molecular Weight (g/mol)
280.4
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Molecular Formula
C17H28O3
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InChI
InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2
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InChIKey
MDYZKJNTKZIUSK-UHFFFAOYSA-N
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SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1
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IUPAC Name
formaldehyde;oxirane;4-(2,4,4-trimethylpentan-2-yl)phenol
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Exact Mass (Da)
280.20384475
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Monoisotopic Mass (Da)
280.20384475
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