IRL752 - Moligand™ , CAS No.I611148

CAS: I611148 Cat. No.: I611148 PubChem CID: 135381565

GRADE & PURITY Moligand™

Synonyms

Pyrrolidine, 3-(2,3-difluorophenyl)-3-methoxy-, (+)- | AT34690 | HY-137447 | PIREPEMAT [INN] | SCHEMBL20563768 | AKOS040756557 | IRL752 | IRL-752 | IRL 752 | EX-A7641 | GTPL11098 | MS-23167 | JS88RK5NOI | Pirepemat | 1227638-29-0 | starbld0005378 | PYRROL

Storage

Room temperature

Specifications

Synonyms

Pyrrolidine, 3-(2, 3-difluorophenyl)-3-methoxy-, (+)- | AT34690 | HY-137447 | PIREPEMAT [INN] | SCHEMBL20563768 | AKOS040756557 | IRL752 | IRL-752 | IRL 752 | EX-A7641 | GTPL11098 | MS-23167 | JS88RK5NOI | Pirepemat | 1227638-29-0 | starbld0005378 | PYRROL

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: CO[C@]1(CNCC1)c1cccc(c1F)F
• IUPAC Name: (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
• InChIKey: LJNFYMMXCXGFCP-LLVKDONJSA-N
• INCHI: 1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1
• Isomeric SMILES: CO[C@@]1(CCNC1)C2=C(C(=CC=C2)F)F
• PubChem CID: 135381565

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Benzylethers Fluorobenzenes Pyrroles Vinyl fluorides Fluoroalkenes Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyrrolidine - Benzylether - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Pyrrole - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: 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