 Home > Encyclopedia > 1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-

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

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

CAS No:
40709-69-1
Formula:
C21H20NO6.I
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-
Synonyms:
1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,iodide (1:1),(5S)-;1,3-Dioxolo[4,5-g]isoquinolinium,5-(6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-,iodide,[R-(R*,S*)]-;1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,iodide,(5S)-;N-Methylbicuculline iodide;Bicuculline methiodide;(+)-Bicuculline methiodide

Request for Quotation

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

Molecular Weight：

509.296

Exact Mass：

509.034

Characteristics

PSA：

63.2

XLogP3：

-0.30790

Water Solubility：

H2O: soluble 10mg/mL, almost clear, greenish-yellow

Storage Conditions：

Store at RT

Safety Information

Hazard category：

6.1

wgk germany：

RTECS Number：

JI4904100

Precautionary statement(s)：

P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P391, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

bicuculline methiodide

Computed Properties

Molecular Weight:509.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:509.03353
Monoisotopic Mass:509.03353
Topological Polar Surface Area:63.2
Heavy Atom Count:29
Complexity:655
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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

SDS

Request for Quotation

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