(-)-Bicuculline methochloride - ≥99% , CAS No.53552-05-9

CAS: 53552-05-9 Cat. No.: B275243 분자식: C₂₁H₂₀ClNO₆ 분자량: 417.84 EC 번호: 688-996-9

등급 & 순도 ≥99%

Synonyms

d-Bicuculline (methochloride) | (a^?-Bicuculline methochloride | (6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chloride | HY-100783A | (R)-6,6-dimethyl-5-((S)-8-oxo-6,8-dihydroisob

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

사양

동의어

d-Bicuculline (methochloride) | (a^?-Bicuculline methochloride | (6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chloride | HY-100783A | (R)-6,6-dimethyl-5-((S)-8-oxo-6,8-dihydroisob

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Water-soluble GABA A antagonist. Methochloride salt of (+)-bicuculline . Actions on neuronal Ca 2+ -activated K + channels reported. Also available in simple stock solutions add 1 ml of water to get an exact, ready-to-use concen

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥99%

이름과 식별자

정식 스마일

C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Cl-]

IUPAC Name

(6S)-6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;chloride

InChIKey

RLJKFAMYSYWMND-VOMIJIAVSA-M

INCHI

1S/C21H20NO6.ClH/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m1./s1

이성체 SMILES

C[N+]1(CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Cl-]

분자량

417.84

Reaxy-Rn

56500888

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56500888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 분류 Phthalide isoquinolines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: Phthalide isoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalide isoquinolines
• Alternative Parents: Tetrahydroisoquinolines Phthalides Benzofuranones Benzodioxoles Aralkylamines Benzenoids Tetraalkylammonium salts Carboxylic acid esters Lactones Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic chloride salts Hydrocarbon derivatives Organopnictogen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalide isoquinoline - Benzofuranone - Isobenzofuranone - Phthalide - Tetrahydroisoquinoline - Benzodioxole - Isocoumaran - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic chloride salt - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide.
• 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

• 용해성: Soluble in water to 100 mM
• 분자량: 417.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 417.098 Da
• Monoisotopic Mass: 417.098 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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