(-)-Bicuculline methiodide - ≥99% , CAS No.55950-07-7

CAS: 55950-07-7 Cat. No.: B275518 Formula: C₂₁H₂₀INO₆ Molecular Weight: 509.29 PubChem CID: 185826

GRADE & PURITY ≥99%

Synonyms

1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6S)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5R)- | DTXSID40971361 | (5R)-5-[(6S)-6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-di

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

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

Specifications

Synonyms

1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6S)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5R)- | DTXSID40971361 | (5R)-5-[(6S)-6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-di

Specifications & Purity

≥99%

Source

Synthetic

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
• 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;iodide
• InChIKey: HKJKCPKPSSVUHY-VOMIJIAVSA-M
• INCHI: 1S/C21H20NO6.HI/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
• Isomeric 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.[I-]
• PubChem CID: 185826
• Molecular Weight: 509.29

Chemical and Physical Properties

• Solubility: Soluble in 1 ml water to give specified mM/ml concentration
• Melt Point(°C): 175-177°C
• Molecular Weight: 509.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 509.034 Da
• Monoisotopic Mass: 509.034 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55950-07-7, the molecular formula is C21H20INO6, and the molecular weight is 509.29 g/mol. InChIKey HKJKCPKPSSVUHY-VOMIJIAVSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.