Anisodamine Hydrobromide - 10mM in DMSO , CAS No.55449-49-5

CAS: 55449-49-5 Cat. No.: A424719 분자식: C₁₇H₂₄BrNO₄ 분자량: 386.28 EC 번호: 683-205-3 PubChem CID: 118856046

GRADE & PURITY 10mM in DMSO

Synonyms

L-TROPIC ACID, 6.BETA.-HYDROXY-3.ALPHA.-TROPANYL ESTER, HYDROBROMIDE | s9560 | [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide | HY-N0584A | Hyoscyamine, 6-hydroxy-, hydrobromide | Benzeneace

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Anisodamine Hydrobromide Anisodamine (6-Hydroxyhyoscyamine) is a naturally occurring atropine derivative and exhibits anti-inflammatory activity. It also inhibits α1-adrenergic receptors and muscarinic acetylcholine receptors (mAChRs) .

Specifications

동의어

L-TROPIC ACID, 6.BETA.-HYDROXY-3.ALPHA.-TROPANYL ESTER, HYDROBROMIDE | s9560 | [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide | HY-N0584A | Hyoscyamine, 6-hydroxy-, hydrobromide | Benzeneace

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Anisodamine (6-Hydroxyhyoscyamine) is a naturally occurring atropine derivative and exhibits anti-inflammatory activity. It also inhibits α1-adrenergic receptors and muscarinic acetylcholine receptors (mAChRs).

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

• ALogP: 1.121
• HBD 수: 2
• 회전 가능한 결합: 5

이름과 식별자

• Pubchem Sid: 528772477
• 정식 스마일: CN1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3.Br
• IUPAC Name: [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
• InChIKey: KMYQCELRVANQNG-YXGOVGSCSA-N
• INCHI: 1S/C17H23NO4.BrH/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11;/h2-6,12-16,19-20H,7-10H2,1H3;1H/t12-,13-,14+,15+,16-;/m0./s1
• 이성체 SMILES: CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3.Br
• PubChem CID: 118856046
• 분자량: 386.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 분류 Tropane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: Tropane alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropane alkaloids
• Alternative Parents: Fatty acid esters Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Benzene and substituted derivatives 1,3-aminoalcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tropane alkaloid - Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Piperidine - Hydroxy acid - Monocyclic benzene moiety - Pyrrolidine - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
• 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

화학 및 물리적 특성

• 감도: light sensitive;Moisture sensitive
• DMSO(mg/mL) 최대 용해도: 77
• DMSO(mM) 최대 용해도: 199.337268302786
• 물(mg/mL) 최대 용해도: -1
• 분자량: 386.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 385.089 Da
• Monoisotopic Mass: 385.089 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 396.000
• 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: 2

XLogP3