Benzo[a]heptalen-9(5H)-one,6,7-dihydro-7-[[(2-hydroxyphenyl)methyl]methylamino]-1,2,3,10-tetramethoxy-,(7S)-

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Names

[ CAS No. ]:
16892-03-8

[ Name ]:
Benzo[a]heptalen-9(5H)-one,6,7-dihydro-7-[[(2-hydroxyphenyl)methyl]methylamino]-1,2,3,10-tetramethoxy-,(7S)-

[Synonym ]:
(7S)-6,7-Dihydro-7-[[(2-hydroxyphenyl)methyl]methylamino]-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one
(S)-1,2,3,10-tetramethoxy-7-(methyl-salicyl-amino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
(S)-6,7-Dihydro-7-[[(2-hydroxyphenyl)methyl]methylamino]-1,2,3,10-tetramethoxybenzo[a]heptalen-9(5H)-one

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
720.4ºC at 760 mmHg

[ Molecular Formula ]:
C28H31NO6

[ Molecular Weight ]:
477.54900

[ Flash Point ]:
389.5ºC

[ Exact Mass ]:
477.21500

[ PSA ]:
77.46000

[ LogP ]:
4.57310

[ Vapour Pressure ]:
1.9E-21mmHg at 25°C

[ Index of Refraction ]:
1.626

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF9485000
CHEMICAL NAME :
Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(((2-hydroxyphenyl)methyl)methylamino)- 1,2,3,10-tetramethoxy-, (S)-
CAS REGISTRY NUMBER :
16892-03-8
BEILSTEIN REFERENCE NO. :
2957282
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H31-N-O6
MOLECULAR WEIGHT :
477.60
WISWESSER LINE NOTATION :
L B677 MV&T&J CO1 DO1 EO1 JN1&1R BQ& NO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
141 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,257,1981

Precursor & DownStream

Precursor

  • 2-(Bromomethyl)phenyl acetate
  • (-)-Demecolcine

DownStream


Related Compounds

  • Methyl 3-(5-bromo-2-nitrophenylamino)-2-methylpropanoate
  • 4-(4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-methyl-1H-pyrazole
  • 5h-Pyrazolo[4,3-c]pyridine,5-methyl-3-phenyl-,monohydriodide
  • 2-[(Propane-2-sulfonyl)methyl]pyrrolidine hydrochloride
  • 7-Benzoxazolemethanol,2-(phenylmethyl)-
  • Benzenamine,4-[[4-phenyl-1-(phenylmethyl)-2-piperazinyl]methyl]-
  • Benzenesulfonamide,3-amino-n-[5-chloro-2-(1h-1,2,3-triazol-1-ylmethyl)phenyl]-
  • Isoquinoline,6-(4-piperidinylmethoxy)-,hydrochloride
  • tert-Butyl (R)-2-(p-tolyl)piperazine-1-carboxylate
  • N-(Quinolin-8-yl)quinoline-4-carboxamide
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