(+)-Bicuculline

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Names

[ CAS No. ]:
485-49-4

[ Name ]:
(+)-Bicuculline

[Synonym ]:
D-BICUCULLINE
EINECS 207-619-7
BICUCULLINE (+)
(+)-Bicuculline
PLUS-BICUCULLINE
bicucculine
(6R)-6-[(5S)-6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one
MFCD00005006
Bicuculline
Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-
bicucullin

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
542.3±50.0 °C at 760 mmHg

[ Melting Point ]:
196-198 ºC

[ Molecular Formula ]:
C20H17NO6

[ Molecular Weight ]:
367.352

[ Flash Point ]:
281.8±30.1 °C

[ Exact Mass ]:
367.105591

[ PSA ]:
66.46000

[ LogP ]:
2.88

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.665

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV0909840
CHEMICAL NAME :
Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g) isoquinolin-5-yl)-, (R-(R*,S*))-
CAS REGISTRY NUMBER :
485-49-4
BEILSTEIN REFERENCE NO. :
0098786
LAST UPDATED :
199801
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H17-N-O6
MOLECULAR WEIGHT :
367.38
WISWESSER LINE NOTATION :
T C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8480 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CUTOEX Current Toxicology. (Nova Science Publishers, Inc., 6080 Jericho Turnpike, Suite 207, Commack, NY 11725) V.1 1993- Volume(issue)/page/year: 1,199,1993

Safety Information

[ Symbol ]:

GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300-H311 + H331-H400

[ Precautionary Statements ]:
P261-P264-P273-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T: Toxic;N: Dangerous for the environment;

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S36/37-S45-S61

[ RIDADR ]:
UN 1544 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
LV0909840

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • (+)-bicuculline
  • Furo[3,4-e]-1,3-benzodioxole-6-carboxylicacid, 6,8-dihydro-8-oxo-
  • 5-formyl-1,3-benzodioxole-4-carboxylic acid
  • N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-8-oxo-6,8-dihydro-[1,3]dioxolo[4,5-e]isobenzofuran-6-carboxamide

DownStream

  • Bicuculline methiodide

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Related Compounds

  • (+)-bicuculline
  • (+)-bicuculline
  • (+)-BICUCULLINE METHOCHLORIDE
  • (+/-)-4-(2-furyl)-butan-2-ol acetate
  • (+)-(3R,4S)-4-hydroxy-3-methylnonan-2-one
  • (+)-Octahydro-α,1,7a-trimethyl-1,2,4-metheno-1H-indene-5-acetic acid
  • tert-Butyl ((1S,4R,5S,8S)-2-benzyl-8-fluoro-2-azabicyclo[3.2.1]octan-4-yl)carbamate
  • Methyl 2-amino-4-hydroxy-3-methylpentanoate
  • Tert-butyl 4-(1-bromopropan-2-yl)piperidine-1-carboxylate
  • {1-[(2,3,4,5-Tetrafluorophenyl)methyl]cyclopropyl}methanol
  • 3-(2-Bromo-3-hydroxyphenyl)-1,1,1-trifluoropropan-2-one
  • tert-Butyl 2-methoxy-4-vinylnicotinate
  • Methyl 2-fluoro-5-nitro-4-((2,2,2-trifluoroethyl)amino)benzoate
  • 5'-Fluoro-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-3-amine
  • 4-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-4-yl]formamido}butanoic acid
  • tert-Butyl (1R,2R)-2-((3-hydroxypropoxy)methyl)cyclopropane-1-carboxylate
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