9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate

CAS 2002-31-5 MFCD N/A

化学结构图

2002-31-5
SMILES: O=C(OCCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1

化学属性

Mol. Weight393.57
Mol. FormulaC25H31NO3

别名和识别编码

Chemical Name9-Azabicyclo(3.3.1)nonane, 9-(3-hydroxypropyl)-, benzilate
Chemicalbook IDCB62431862
Wiswesser Line NotationT66 A ANTJ A3OVXQR&R
Synonym 9-Azabicyclo(3.3.1)nonane, 9-(benziloyloxypropyl)- 9-(3-Hydroxypropyl)-9-azabicyclo(3.3.1)nonane benzilate N-(omega-Hydroxypropyl)-norgranatan alpha-hydroxy-alpha-diphenylacetyl
Beilstein Registry Number1663920
CAS Number2002-31-5
InChIKeyUPWZIUPEFMORMU-UHFFFAOYSA-N
PubChem Substance ID16160
InChIInChI=1S/C25H31NO3/c27-24(29-19-9-18-26-22-14-7-15-23(26)17-8-16-22)25(28,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-6,10-13,22-23,28H,7-9,14-19H2
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安全信息

RTECSCL5494550 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 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: 15,857,1965

系列性分类

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