Determine the necessary mass, volume, or concentration for preparing a solution.
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Nelivaptan (SSR-149415) is a selective vasopressin V1b receptor antagonist (Ki: 3.7 and 1.3 nM for native and recombinant rat V1b receptors, respectively). Nelivaptan inhibits arginine vasopressin (AVP)-induced Ca2+ increase and corticotropin secretion. Nelivaptan can be used for research of stress, anxiety and
depression.
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Proline and derivatives |
| Alternative Parents | Alpha amino acid amides Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Indoles and derivatives Anisoles Pyrrolidinecarboxamides Phenoxy compounds Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Aryl chlorides Sulfonyls Tertiary carboxylic acid amides Organosulfonic acids and derivatives Secondary alcohols 1,2-aminoalcohols Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Proline or derivatives - Alpha-amino acid amide - M-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonamide - Benzenesulfonyl group - Indole or derivatives - Phenoxy compound - Anisole - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Sulfonyl - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
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| Solubilità | Solvent:DMSO, Max Conc. mg/mL: 63.01, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 63.01, Max Conc. mM: 100 |
|---|---|
| Sensibilità | Light sensitive |
| Peso molecolare | 630.100 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 629.16 Da |
| Monoisotopic Mass | 629.16 Da |
| Topological Polar Surface Area | 134.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1140.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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