WAY-311636 - 10mM in DMSO , CAS No.7685-88-3

CAS: 7685-88-3 Cat. No.: W425888 Summenformel: C₁₇H₁₆N₂O₂ Molekulargewicht: 280.32 PubChem CID: 2835929

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

3-(benzylamino)-1-phenylpyrrolidine-2,5-dione|7685-88-3|1-PHENYL-3-[(PHENYLMETHYL)AMINO]-2,5-PYRROLIDINEDIONE|CBDivE_008509|DTXSID80385463|HMS1615L05|STL356112|AKOS001676509|AKOS017269781|WAY-311636|EU-0015086|AB00076151-01|3-(BENZYLAMINO)-1-PHENYLDIHYDRO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

antispasmodic activity

Spezifikationen

Synonyme

3-(benzylamino)-1-phenylpyrrolidine-2,5-dione | 7685-88-3 | 1-PHENYL-3-[(PHENYLMETHYL)AMINO]-2,5-PYRROLIDINEDIONE | CBDivE_008509 | DTXSID80385463 | HMS1615L05 | STL356112 | AKOS001676509 | AKOS017269781 | WAY-311636 | EU-0015086 | AB00076151-01 | 3-(BENZYLAMINO)-1-PHENYLDIHYDRO

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

2.063

HBD-Zahl

1

Rotationsfähige Bindung

4

Namen und Kennungen

Pubchem Sid

528767848

Kanonisches Lächeln

C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3

IUPAC Name

3-(benzylamino)-1-phenylpyrrolidine-2,5-dione

InChIKey

RLYCOAZCWRPZHI-UHFFFAOYSA-N

INCHI

1S/C17H16N2O2/c20-16-11-15(18-12-13-7-3-1-4-8-13)17(21)19(16)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2

Isomere SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3

PubChem CID

2835929

Molekulargewicht

280.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Alpha amino acids and derivatives Phenylmethylamines Benzylamines Aralkylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 280.320 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.121 Da
• Monoisotopic Mass: 280.121 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1