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· · COA & SDS available for every product · Same-day shipping on in-stock items Butaclamol free base , CAS No.36504-93-5
Synonyms
Butaclamol free base | BUTACLAMOL | Butaclamol [INN] | (+)-Butaclamol | A7A2802VNL | CHEBI:73298 | 36504-93-5 (free base) | (3R,4aR,13bR)-3-(tert-butyl)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol | (3R,4aR
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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
Butaclamol free base | BUTACLAMOL | Butaclamol [INN] | (+)-Butaclamol | A7A2802VNL | CHEBI:73298 | 36504-93-5 (free base) | (3R, 4aR, 13bR)-3-(tert-butyl)-2, 3, 4, 4a, 8, 9, 13b, 14-octahydro-1H-benzo[6, 7]cyclohepta[1, 2, 3-de]pyrido[2, 1-a]isoquinolin-3-ol | (3R, 4aR
Product Properties Names and Identifiers Canonical Smiles CC(C)(C)C1(CCN2CC3C4=CC=CC=C4CCC5=C3C(=CC=C5)C2C1)O IUPAC Name (1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol InChIKey ZZJYIKPMDIWRSN-TZBSWOFLSA-N INCHI 1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1 Isomeric SMILES CC(C)(C)[C@]1(CCN2C[C@@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@H]2C1)O PubChem CID 37461 Molecular Weight 361.5
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 Benzenoids Class Dibenzocycloheptenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Dibenzocycloheptenes Alternative Parents Tetrahydroisoquinolines Aralkylamines Piperidines Tertiary alcohols Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Dibenzocycloheptene - Tetrahydroisoquinoline - Aralkylamine - Piperidine - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring. External Descriptors tertiary alcohol - tertiary amino compound - organic heteropentacyclic compound - amino alcohol 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 361.500 g/mol XLogP3 5.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 361.241 Da Monoisotopic Mass 361.241 Da Topological Polar Surface Area 23.500 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 553.000 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 1
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