Tolvaptan
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Molecular Identity
Tolvaptan
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
PubChem CID: 216237
Tolvaptan is a racemate comprising of equimolar amounts of (R)- and (S)-tolvaptan. It is a selective vasopressin V2 receptor antagonist used to treat euvolemic and hypervolemic hyponatremia. It is also used in the treatment of rapidly progressing autosomal dominant polycystic kidney disease to slow the rate of cyst development and renal insufficiency. It has a role as an aquaretic and a vasopressin receptor antagonist. It contains a (S)-tolvaptan and a (R)-tolvaptan.
2D Structure
Properties
C26H25ClN2O3
Molecular Formula
448.90
Molecular Weight
g/mol
448.1554
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
69.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
673
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Tolvaptan150683-30-0OPC-41061jinarcJYNARQUEDTXSID304878021G72T1950DTXCID9028706CHEBI:322467-Chloro-5-hydroxy-1-(2-methyl-4-(2-methylbenzoylamino)benzoyl)2,3,4,5-tetrahydro-1H-1-benzazepineBenzamide, N-(4-((7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-3-methylphenyl)-2-methyl-tolvaptanumBenzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-N-(4-(7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamideN-[4-(7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Data from PubChem (NCBI)
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Drug Network
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