Ignavine

CAS 1357-76-2 MFCD01746792

化学结构图

1357-76-2
SMILES: C=C1[C@H]2CC3C4N5C[C@]6(C)[C@@H](O)[C@H](OC(=O)c7ccccc7)C[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2

化学属性

Mol. FormulaC27H31NO5
Mol. Weight449.59

别名和识别编码

Chemical NameIgnavine
InChIKeyFOIZZXKAYVIZQC-XGOHUXEVSA-N
Synonym Ignavine ignavine
Beilstein Registry Number5655872
CAS Number1357-76-2
PubChem Substance ID71448929
InChIInChI=1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18+,19+,20?,21+,22-,24-,25?,26+,27-/m0/s1
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安全信息

RTECSMK7350000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Skin and Appendages - hair
   Nutritional and Gross Metabolic - body temperature decrease
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: 30,1844,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 22800 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - muscle contraction or spasticity
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: 30,1844,1982

系列性分类

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