API0232826
Tolvaptan
Tolvaptan is a vasopressin receptor antagonist used for hyponatremia and polycystic kidney disease.
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CAS No.
150683-30-0
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Synonyms
Tolvaptan; 150683-30-0; jinarc
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CHEMBL ID
CHEMBL344159
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Molecule Type
Small molecule
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Compound CID
216237
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Molecular Weight (g/mol)
448.9
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Molecular Formula
C26H25ClN2O3
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InChI
InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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InChIKey
GYHCTFXIZSNGJT-UHFFFAOYSA-N
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SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C
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IUPAC Name
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
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Exact Mass (Da)
448.1553704
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Monoisotopic Mass (Da)
448.1553704
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