Gelsemine

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Names

[ CAS No. ]:
509-15-9

[ Name ]:
Gelsemine

[Synonym ]:
GELSAMINE
8abeta,9s*,10s*))-8alph
GESEMINE
(2'S,3S,5'S,6'R,8'R,11'S)-4'-Methyl-2'-vinylspiro[indole-3,7'-[9]oxa[4]azatetracyclo[6.3.1.0.0]dodecan]-2(1H)-one
gelsemine free base
Gelsemin
EINECS 208-095-2

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
493.4±45.0 °C at 760 mmHg

[ Melting Point ]:
181-183ºC

[ Molecular Formula ]:
C20H22N2O2

[ Molecular Weight ]:
322.401

[ Flash Point ]:
252.2±28.7 °C

[ Exact Mass ]:
322.168121

[ PSA ]:
41.57000

[ LogP ]:
3.08

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.673

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LX9100000
CHEMICAL NAME :
Gelsemine
CAS REGISTRY NUMBER :
509-15-9
BEILSTEIN REFERENCE NO. :
5406576
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H22-N2-O2
MOLECULAR WEIGHT :
322.44

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
60 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DUSA** "Dispensatory of the United States of America," 24th ed., Osol, A. and G.E. Farrar, Philadelphia, J.B. Lippincott Co., 1947 Volume(issue)/page/year: 24,497,1947
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
49 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 7,349,1957

Safety Information

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
23/24/25-26/27/28

[ Safety Phrases ]:
36/37/39-45-28

[ RIDADR ]:
UN 1544 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
LX9100000

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

Precursor & DownStream

Precursor

  • 21-oxogelsemine

DownStream

Related Compounds

  • Gelsemine HCl
  • 1-methoxy-18,19-dihydro-gelsemine
  • 3-(1H-1,2,3-triazol-1-yl)benzene-1-sulfonamide
  • tert-Butyl (1-(4-amino-1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)carbamate
  • 5-(Boc-amino)-2-(5-bromophenyl)thiazole-4-carboxylic acid
  • 2-(4-Ethyl-6-methylpyrimidin-2-yl)ethan-1-amine
  • 3-((2,3-Dihydrobenzofuran-2-yl)methoxy)azetidine
  • 1,3-Dibromo-2-(ethenyloxy)-5-nitrobenzene
  • 3-butoxy-N,2,2-trimethylcyclobutan-1-amine
  • Spiro[3.6]decan-1-amine, N-ethyl-3-(2-fluorophenoxy)-
  • 3-(Tert-butoxy)-2,2-dimethylcyclobutan-1-amine
  • 5-(2-Fluorophenyl)-4-methyl-1,2-oxazol-3-amine
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