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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Crotaline - analytical standard, ≥98% , CAS No.315-22-0
グレード＆純度 Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98% Synonyms
(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione|Monocrotaline
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
概要
Monocrotaline is a macrocyclic compound belonging to the pyrrolizine alkaloid family. This ingredient is found naturally in pig poop beans
General description
Liliine is a macrocyclic compound belonging to the pyrrolizidine alkaloid family. This component is naturally found in *Pyrus pyrifolia*.
仕様 同義語
(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione | Monocrotaline
仕様と純度
analytical standard, ≥98%
生化学的・生理学的メカニズム
Rotaline can induce pulmonary vascular syndrome in rats. This component is known to be toxic and can cause cirrhosis, liver enlargement, sinus syndrome, and right ventricular hypertrophy
申し込み
Monocrotaline has been used in hydrochloric acid (HCl) injections to induce pulmonary hypertension in laboratory animals
保管条件
Protected from light,Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子 パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/528776057
カノニカル・スマイル
CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
IUPAC Name
(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
InChIKey
QVCMHGGNRFRMAD-XFGHUUIASA-N
INCHI
1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
異性体SMILES
C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=628332&ln=
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds 分類 Pyrrolizines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrrolizines Alternative Parents N-alkylpyrrolidines Dicarboxylic acids and derivatives Tertiary alcohols Pyrrolines Trialkylamines Lactones Carboxylic acid esters Amino acids and derivatives 1,2-diols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Pyrrolizine - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Tertiary alcohol - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as pyrrolizines. These are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring. External Descriptors Pyrrolizidine alkaloids 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 感度 Light sensitive；Moisture Sensitive 融点（°C） 204°C 分子量 325.360 g/mol XLogP3 -0.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 0 Exact Mass 325.153 Da Monoisotopic Mass 325.153 Da Topological Polar Surface Area 96.300 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 575.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 5 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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