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Satavaptan

CAT: 0013-GTR19197024-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197024-01Size:25 mg
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Description
Satavaptan is a selective vasopressin V2 receptor antagonist used in research to investigate water balance disorders. It has been studied in vitro for receptor binding and in vivo for managing conditions like cirrhosis-associated ascites in animal models.
CAS Number
185913-78-4
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1[C@]2 (C=3C (N1S (=O) (=O) C4=C (OC) C=C (C (NC (C) (C) C) =O) C=C4) =CC=C (OCC) C3) CC[C@H] (OCCN5CCOCC5) CC2
Molecular Formula
C33H45N3O8S
Molecular Weight
643.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Satavaptan

Satavaptan is a vasopressin V2 receptor antagonist that has been shown to improve hyponatremia in patients with cirrhosis, congestive heart failure, and syndrome of inappropriate antidiuresis. It has a role as an aquaretic and a vasopressin receptor antagonist. It is a secondary carboxamide, a member of benzamides, a monomethoxybenzene, a sulfonamide, an aromatic ether, an oxaspiro compound and a member of morpholines.

CAS Number185913-78-4
PubChem CID158348
IUPAC NameN-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide
Molecular FormulaC33H45N3O8S
Molecular Weight643.8
XLogP3.3
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1120
SMILES
CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC
InChI
InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)
InChIKey
QKXJWFOKVQWEDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Satavaptan
CAS: 185913-78-4
CID: 158348
Formula: C33H45N3O8S
MW: 643.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass643.29273658
Monoisotopic Mass643.29273658
Topological Polar Surface Area132 Ų
Heavy Atom Count45
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-18344Satavaptan
MBS5774504Satavaptan fumarate

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