3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartrate - ≥98% , CAS No.134002-26-9

CAS: 134002-26-9 Cat. No.: S181234 Molecular Weight: 430.5 EC Number: 603-789-5 PubChem CID: 24968963

GRADE & PURITY ≥98%

Synonyms

(S)-3-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine L-tartrate | 3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-L-(+)-tartrate | 3-PYRROLIDINEACETAMIDE, .ALPHA.,.ALPHA.-DIPHENYL-, (3S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1) | BSPBio_000411 | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(S)-3-(1-Carbamoyl-1, 1-diphenylmethyl)pyrrolidine L-tartrate | 3-(S)-(+)-(1-Carbamoyl-1, 1-diphenylmethyl)pyrroloidine-L-(+)-tartrate | 3-PYRROLIDINEACETAMIDE, .ALPHA., .ALPHA.-DIPHENYL-, (3S)-, (2R, 3R)-2, 3-DIHYDROXYBUTANEDIOATE (1:1) | BSPBio_000411 | DTXS

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200729
• Canonical Smiles: C1CNCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide
• InChIKey: HRXFENQYWZZQMX-NUFNRNBZSA-N
• INCHI: 1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1
• Isomeric SMILES: C1CNC[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• PubChem CID: 24968963
• Molecular Weight: 430.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylacetamides Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Pyrrolidines Amino acids and derivatives 1,2-diols Secondary alcohols Primary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Phenylacetamide - Beta-hydroxy acid - Aralkylamine - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acid - Monosaccharide - Pyrrolidine - 1,2-diol - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Chemical and Physical Properties

• Molecular Weight: 430.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 430.174 Da
• Monoisotopic Mass: 430.174 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 472.000
• 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: 2

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