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Tolvaptan

CAT: 1596-AR-T02606-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02606-02Size:25 Units
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CAS Number
150683-30-0
Synonyms
N- (4- (7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl) -3-methylphenyl) -2-methylbenzamide; N-[4-[ (7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl) carbonyl]-3-methylphenyl]-2-methylbenzamide; OPC 41061; OPC-41061
Molecular Formula
C26H25ClN2O3
Molecular Weight
448.95
API Name
Tolvaptan

Chemical Information

Tolvaptan

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.

CAS Number150683-30-0
PubChem CID216237
IUPAC NameN-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Molecular FormulaC26H25ClN2O3
Molecular Weight448.9
XLogP4.8
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity673
SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C
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)
InChIKey
GYHCTFXIZSNGJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolvaptan
CAS: 150683-30-0
CID: 216237
Formula: C26H25ClN2O3
MW: 448.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.9
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass448.1553704
Monoisotopic Mass448.1553704
Topological Polar Surface Area69.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2300-5Tolvaptan

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