Product Name

  • Name

    diponium bromide

  • EINECS
  • CAS No. 2001-81-2
  • Density g/cm3
  • Solubility
  • Melting Point 185-186°
  • Formula C20H38NO2•Br
  • Boiling Point °Cat760mmHg
  • Molecular Weight 404.50
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. See also BROMIDES. An antispasmodic agent. When heated to decomposition it emits very toxic fumes of Br− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 2001-81-2 (diponium bromide)
  • Hazard Symbols
  • Synonyms Dipeninbromid [German];Bromuro de diponio [INN-Spanish];EINECS 217-891-9;Diponii bromidum [INN-Latin];Spaston;Diponium bromide;Dipenine Bromide;Sa 267;Unospaston;Bromure de diponium [INN-French];
  • PSA 26.30000
  • LogP 1.40670

Dipenine bromide Chemical Properties

Molecular Structure of Dipenine bromide (CAS NO. 2001-81-2):

IUPAC Name: 2-(2,2-Dicyclopentylacetyl)oxyethyl-triethylazanium bromide  
Molecular Formula: C20H38BrNO2
Molecular Weight: 404.425220 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.[Br-]
InChI: InChI=1S/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,
1-3H3;1H/q+1;/p-1
InChIKey: ADZXDFALMZGPTN-UHFFFAOYSA-M
Freely Rotating Bonds: 6
Polar Surface Area of Dipenine bromide (CAS NO. 2001-81-2): 26.3 Å2

Dipenine bromide Toxicity Data With Reference

1.    

orl-rat LD50:780 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),878.
2.    

ipr-rat LD50:84,400 µg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 2 (1968),70.
3.    

scu-rat LD50:299 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 2 (1968),70.
4.    

ivn-rat LD50:6600 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),878.
5.    

orl-mus LD50:570 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),350.
6.    

ipr-mus LD50:88 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 10 (1960),911.
7.    

scu-mus LD50:80 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),350.
8.    

ivn-mus LD50:6200 µg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),350.

Dipenine bromide Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. See also BROMIDES. An antispasmodic agent. When heated to decomposition it emits very toxic fumes of Br− and NOx.

Dipenine bromide Specification

  Dipenine bromide with cas registry number of 2001-81-2 is also called for (Diethylamino)ethyl alpha,alpha-dicyclopentylacetate ethobromide ; 2,2-Dicyclopentylacetic acid 2'-diethylaminoethyl ester ethobromide ; 2-((Dicyclopentylacetoxy)ethyl)triethylammonium bromide ; 2-((Dicyclopentylacetyl)oxy)-N,N,N-triethyl-ethanaminium bromide (9CI) ; Acetic acid, dicyclopentyl-, diethylaminoethyl ester, ethylbromide ; Aethobromid des alpha,alpha-dicyclopentylessigsaeure-beta'-diaethylaminoaethylester ; Aethobromid des alpha,alpha-dicyclopentylessigsaeure-beta'-diaethylaminoaethylester [German] ; Ammonium, (2-hydroxyethyl)triethyl-, bromide, dicyclopentylacetate ; Ammonium, triethyl(2-hydroxyethyl)-, bromide, dicyclopentylacetate (8CI) ; Bromure de diponium ; Bromure de diponium [INN-French] ; Bromuro de diponio ; Bromuro de diponio [INN-Spanish] ; Dicyclopentylacetic acid beta-diethylaminoethyl ester ethobromide ; Diethylaminoethyl alpha,alpha-dicyclopentylacetate ethobromide ; Dipeninbromid ; Dipeninbromid [German] ; Diponii bromidum ; Diponii bromidum [INN-Latin] ; Diponium bromide ; Dipenine bromide [BAN] ; Ethanaminium, 2-((dicyclopentylacetyl)oxy)-N,N,N-triethyl-, bromide ; HL 267 ; Sa 267 ; Spaston ; Triethyl(2-hydroxyethyl)-ammonium bromide, dicyclopentylacetate ; Triethyl(2-hydroxyethyl)ammonium bromide dicyclopentylacetate ; UNII-977A8K11XO ; Unospaston ; beta-(Diethylamino)ethyl alpha,alpha-dicyclopentylacetate ethobromide .

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