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532-49-0

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Basic Information
CAS No.: 532-49-0
Name: Dibutoline
Molecular Structure:
Molecular Structure of 532-49-0 (Dibutoline)
Formula: C30H66N4O4•O4S
Molecular Weight: 643.06
Synonyms: Di-N-butyl-carbamylcholine sulphate;Ammonium,ethyl(2-hydroxyethyl)dimethyl-,dibutylcarbamate (ester),sulfate (2:1);(2-Dibutylcarbamyloxyethyl)dimethylethylammonium sulfate;Bis[(dibutylcarbamate) of ethyl(2-hydroxyethyl)dimethylammonium] sulfate;Dibulinesulfat;Ammonium,ethyl(2-hydroxyethyl)dimethyl-,sulfate (salt),bis(dibutylcarbamate);Dibuline sulfate;
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intraperitoneal and subcutaneous routes. See also CARBAMATES and SULFATES. When heated to decomposition it emits very toxic fumes of NOx, NH3, and SOx.
PSA: 118.18000
LogP: 2.86430
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Chemistry

Empirical Formula of Dibutoline sulfate (CAS NO.532-49-0): C30H66N4O8S
Molecular Weight: 642.932
Structure of Dibutoline sulfate (CAS NO.532-49-0):
                             
IUPAC Name: 2-(Dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium sulfate
Canonical SMILES: CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC.CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC.[O-]S(=O)(=O)[O-]
InChI: InChI=1S/2C15H33N2O2.H2O4S/c2*1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3;1-5(2,3)4/h2*6-14H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2
InChIKey: YRPPIMNBOSCROA-UHFFFAOYSA-L

Toxicity Data With Reference

1.    

ipr-rat LD50:22 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 84 (1945),105.
2.    

scu-mus LD50:49 mg/kg CLDND*

Safety Profile

Poison by intraperitoneal and subcutaneous routes. See also CARBAMATES and SULFATES. When heated to decomposition Dibutoline sulfate (CAS NO.532-49-0) emits very toxic fumes of NOx, NH3, and SOx.

Specification

 Dibutoline sulfate , its cas register number is 532-49-0. It also can be called (2-Dibutylcarbamyloxyethyl)dimethylethylammoniumsulfate ; Di-n-butyl-carbamylcholine sulphate ; Dimethylethyl-beta-hydroxyethylammonium sulfate dibutylurethan ; and Dibuline sulfate .