6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman

CAS 477-57-6 MFCD00236404

化学结构图

477-57-6
SMILES: COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3

化学属性

Mol. FormulaC38 H42 N2 O6
Mol. Weight622.75
Melting Point180-182 ºC
Density1.172

别名和识别编码

Chemical Name6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman
Synonym (+)-Isotetrandrine (R,S)-Tetrandrine 6,6',7,12-Tetramethoxy-2,2'-dimethylberbaman 6,6',7,12-tetramethoxy-2,2'-dimethyl-1 beta-berbaman Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl- Isosinomenin A Isosinomenine A Isosinomenine A; NSC 97338; O,O-Dimethylobamegine; O,O-Dimethylstepholine; O,O'-Dimethylobamegine; O,O'-Dimethylstepholine; O-Methylberbamine; (4aS,16aR)-3,4,4a,5,16a,17,18,19-Octahydro-12,21,22,26-tetramethoxy-4,17-dimethyl-16H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline Isotetrandrine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number477-57-6
InChIKeyWVTKBKWTSCPRNU-UHFFFAOYSA-N
Chemical Name Translation
PubChem Substance ID457825
InChIInChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
LabNetwork Molecule IDLN00349919
Canonical SMILESCOc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
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安全信息

RTECSNX7285000 
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

Storage condition N/A N/A℃ No Data Available

系列性分类

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