Isotetrandrine

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Names

[ CAS No. ]:
477-57-6

[ Name ]:
Isotetrandrine

[Synonym ]:
O,O'-Dimethylobamegine
isotetrandine
O-Methylberbamine
O,O'-Dimethylstepholine
6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman
Isosinomenine A
6,7,12,6'-tetramethoxy-2,2'-dimethyl-berbamane
1R,1'S isotetrandrine
1-isotetrandrine

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
710.5±60.0 °C at 760 mmHg

[ Melting Point ]:
180-182ºC

[ Molecular Formula ]:
C38H42N2O6

[ Molecular Weight ]:
622.750

[ Flash Point ]:
175.8±30.1 °C

[ Exact Mass ]:
622.304260

[ PSA ]:
61.86000

[ LogP ]:
3.55

[ Vapour Pressure ]:
0.0±2.3 mmHg at 25°C

[ Index of Refraction ]:
1.586

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX7285000
CHEMICAL NAME :
1-Isotetrandrine
CAS REGISTRY NUMBER :
477-57-6
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C38-H42-N2-O6
MOLECULAR WEIGHT :
622.82

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 65(5),176S,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 24,2413,1976

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-Methylcoclaurine
  • (+/-)-1-(4-hydroxybenzyl)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
  • didehydro-N-methylcoclaurinium iodide
  • diazomethane
  • Fangchinoline

DownStream

  • 1α-(4-Hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol
  • 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-12,22-diol,3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-4,17-dimethyl-, (4aS,16aR)-(9CI)

Related Compounds

  • 1-isotetrandrine
  • 1-isotetrandrine
  • Isotetrandrine N-2'-oxide
  • N-(thiophen-2-yl(thiophen-3-yl)methyl)cyclohex-3-enecarboxamide
  • N-(thiophen-2-yl(thiophen-3-yl)methyl)-4-(trifluoromethoxy)benzamide
  • 3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-yl(thiophen-3-yl)methyl)-1H-pyrazole-5-carboxamide
  • 3-(2,5-dimethoxyphenyl)-1-methyl-N-(thiophen-2-yl(thiophen-3-yl)methyl)-1H-pyrazole-5-carboxamide
  • 4-bromo-N-(thiophen-2-yl(thiophen-3-yl)methyl)thiophene-2-carboxamide
  • 3-(3-chlorophenyl)-N-(thiophen-2-yl(thiophen-3-yl)methyl)propanamide
  • 3-fluoro-4-methoxy-N-(thiophen-2-yl(thiophen-3-yl)methyl)benzamide
  • N-(thiophen-2-yl(thiophen-3-yl)methyl)benzo[b]thiophene-2-carboxamide
  • 3,5-dimethyl-N-(thiophen-2-yl(thiophen-3-yl)methyl)isoxazole-4-carboxamide
  • 1,3,5-trimethyl-N-(thiophen-2-yl(thiophen-3-yl)methyl)-1H-pyrazole-4-carboxamide
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