Solifenacin succinate - ≥99% , Muscarinic acetylcholine receptor M2 antagonist, CAS No.242478-38-2, Muscarinic acetylcholine receptor M2 antagonist

CAS: 242478-38-2 Cat. No.: S129952 Molecular Weight: 480.55 EC Number: 620-505-5 PubChem CID: 216457

GRADE & PURITY ≥99%

Synonyms

MLS006010416 | s3048 | Vesicare (TN) | Solifenacin succinate [USAN] | (3R)-Quinuclidin-3-yl (1S)-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate succinate | Solifenacin Succinate, United States Pharmacopeia (USP) Reference Standard | YM 905 | 3-(imidaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MLS006010416 | s3048 | Vesicare (TN) | Solifenacin succinate [USAN] | (3R)-Quinuclidin-3-yl (1S)-1-phenyl-3, 4-dihydroisoquinoline-2(1H)-carboxylate succinate | Solifenacin Succinate, United States Pharmacopeia (USP) Reference Standard | YM 905 | 3-(imidaz

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Solifenacin Succinate(YM905; Vesicare) is a muscarinic receptor antagonist.Solifenacin succinate (YM905; Vesicare) is a prescription medication used to treat certain bladder problems.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Muscarinic acetylcholine receptor M2 antagonist

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504757868
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757868
• Canonical Smiles: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.C(CC(=O)O)C(=O)O
• IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid
• InChIKey: RXZMMZZRUPYENV-VROPFNGYSA-N
• INCHI: 1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1
• Isomeric SMILES: C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.C(CC(=O)O)C(=O)O
• PubChem CID: 216457
• Molecular Weight: 480.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydroisoquinolines
      • Subclass 1-phenyltetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydroisoquinolines
• Subclass: 1-phenyltetrahydroisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-phenyltetrahydroisoquinolines
• Alternative Parents: Quinuclidines Piperidines Dicarboxylic acids and derivatives Benzene and substituted derivatives Carbamate esters Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: 1-phenyltetrahydroisoquinoline - Quinuclidine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline moiety.
• 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

Associated Targets(Human)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)

Discover Target: CHRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM3 Tclin Muscarinic acetylcholine receptors; M2 & M3 (708 Activities)

Discover Target: CHRM3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM3 Tclin Muscarinic acetylcholine receptor M1 and M3 (256 Activities)

Discover Target: CHRM3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 3 mg/mL Water 96 mg/mL Ethanol 5 mg/mL
• Melt Point(°C): 147 °C
• Molecular Weight: 480.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 480.226 Da
• Monoisotopic Mass: 480.226 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 617.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

XLogP3