Tolvaptan

CAT: 1568-C08701-02Size: 50 mgDry Ice: YesHazardous: No

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CAT#:1568-C08701-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

150683-30-0

Synonyms

OPC-41061

SKU

C08701-10mg

Target

Vasopressin Receptor

Applications

GPCR & G Protein

Smiles

CC1=CC=CC=C1C (=O) NC2=CC (=C (C=C2) C (=O) N3CCCC (C4=C3C=CC (=C4) Cl) O) C

Molecular Formula

C26H25ClN2O3

Additionnal Information

Tolvaptan (OPC-41061) is an orally effective nonpeptide arginine vasopressin V2 receptor antagonist with IC50 of 3 nM, used to treat hyponatremia.

Storage Conditions

2 years -80 in solvent

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 Number	150683-30-0
PubChem CID	216237
IUPAC Name	N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Molecular Formula	C26H25ClN2O3
Molecular Weight	448.9
XLogP	4.8
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	673

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

CAS: 150683-30-0

CID: 216237

Formula: C26H25ClN2O3

MW: 448.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	448.9
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	448.1553704
Monoisotopic Mass	448.1553704
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	673
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B2300-5	Tolvaptan

Tolvaptan

Chemical Information

Alternative Products

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