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340,000+ 研究の概要 · Triple ISO certified · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Dendrobine - Moligand™, 10mM in DMSO , CAS No.2115-91-5
グレード&純度 Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO Synonyms
(1S,4S,7S,8R,11R,12R,13S)-2,12-Dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one|Dendrobine|Dendroban-12-one
Shipped In
Dry ice packs + Cold packs
仕様 同義語
(1S,4S,7S,8R,11R,12R,13S)-2,12-Dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one | Dendrobine | Dendroban-12-one
仕様と純度
Moligand™, 10mM in DMSO
入荷
Dry ice packs + Cold packs
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名前と識別子 カノニカル・スマイル
CC(C)C1C2C3CCC4C3(C(C1OC2=O)N(C4)C)C
IUPAC Name
(1S,4S,7S,8R,11R,12R,13S)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
InChIKey
RYAHJFGVOCZDEI-UFFNCVEVSA-N
INCHI
1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1
異性体SMILES
CC(C)[C@H]1[C@H]2[C@@H]3CC[C@H]4[C@@]3([C@@H]([C@@H]1OC2=O)N(C4)C)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=750211&ln=
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds 分類 Indoles and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Indoles and derivatives Alternative Parents Oxepanes N-alkylpyrrolidines Gamma butyrolactones Tetrahydrofurans Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Indole or derivatives - Caprolactone - Oxepane - Gamma butyrolactone - N-alkylpyrrolidine - Pyrrolidine - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. External Descriptors indoles 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.
3 D構造 関連ターゲット(人間) 関連ターゲット(非人間) 作用メカニズム 証明書(CoA、COO、BSE/TSEと分析図) 化学的性質と物理的性質 融点(°C) 134-136℃ 分子量 263.370 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 263.189 Da Monoisotopic Mass 263.189 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 434.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 7 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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