1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-octylbenzyl)-, bromide, (+-)-tropate

CAS 4739-93-9 MFCD01677486

化学结构图

4739-93-9
SMILES: CCCCCCCCc1ccc(C[N+]2(C)C3CCC2CC(OC(=O)C(CO)c2ccccc2)C3)cc1.[Br-]

化学属性

Mol. FormulaC32H46NO3.Br
Mol. Weight572.70

别名和识别编码

Chemical Name1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-octylbenzyl)-, bromide, (+-)-tropate
InChIKeyJTCAYVYSBOXIMW-UHFFFAOYSA-M
Synonym 8-(p-Octylbenzyl)atropinium bromide Atropinium, 8-(p-octylbenzyl)-, bromide N-724
CAS Number4739-93-9
PubChem Substance ID199678
InChIInChI=1S/C32H46NO3.BrH/c1-3-4-5-6-7-9-12-25-15-17-26(18-16-25)23-33(2)28-19-20-29(33)22-30(21-28)36-32(35)31(24-34)27-13-10-8-11-14-27;/h8,10-11,13-18,28-31,34H,3-7,9,12,19-24H2,1-2H3;1H/q+1;/p-1
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安全信息

RTECSYM3754000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 370 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 13,776,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 106 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 13,776,1963

系列性分类

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