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· · COA & SDS available for every product · Same-day shipping on in-stock items Simpinicline , Neuronal acetylcholine receptor; alpha3/beta4 agonist, CAS No.753015-44-0, Neuronal acetylcholine receptor; alpha3/beta4 agonist
Synonyms
Simpinicline | SCHEMBL1335091 | TC6499 | TC-6499-12 | TC-6499 | FNEHSHNEXMPCLJ-VWCDRPFISA-N | Pyrimidine, 5-((1E)-2-(3R)-3-pyrrolidinylethenyl)- | OC-02 | CHEMBL4594254 | UNII-09936A4QSN | SIMPINICLINE [INN] | Simpinicline [USAN] | SCHEMBL1335095 | WHO 11
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Simpinicline | SCHEMBL1335091 | TC6499 | TC-6499-12 | TC-6499 | FNEHSHNEXMPCLJ-VWCDRPFISA-N | Pyrimidine, 5-((1E)-2-(3R)-3-pyrrolidinylethenyl)- | OC-02 | CHEMBL4594254 | UNII-09936A4QSN | SIMPINICLINE [INN] | Simpinicline [USAN] | SCHEMBL1335095 | WHO 11
Mechanism of action
Neuronal acetylcholine receptor; alpha3/beta4 agonist
Product Properties Names and Identifiers Canonical Smiles C1CNCC1C=CC2=CN=CN=C2 IUPAC Name 5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyrimidine InChIKey FNEHSHNEXMPCLJ-VWCDRPFISA-N INCHI 1S/C10H13N3/c1(9-3-4-11-5-9)2-10-6-12-8-13-7-10/h1-2,6-9,11H,3-5H2/b2-1+/t9-/m0/s1 Isomeric SMILES C1CNC[C@H]1/C=C/C2=CN=CN=C2 PubChem CID 11528435 Molecular Weight 175.23
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Pyrimidines and pyrimidine derivatives Alternative Parents Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrimidine - Heteroaromatic compound - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) 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.
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