Bethanechol

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Systematic / IUPAC Name: 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium

ID: Reference1922

Other Names: Amidopropyldimethylbetaine;
Carbamyl-β-methylcholine;
Carbamoyl-β-methylcholine;
Urabeth;
(2-Hydroxypropyl)trimethylammonium carbamate ; more

Formula: C7H17N2O2 +

Class: Therapeutics/Prescription Drugs

Spectral Data

Bethanechol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2015 1:53:52 PM
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Identificators

InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
InChI Key NZUPCNDJBJXXRF-UHFFFAOYSA-O
Canonical SMILES CC(C[N+](C)(C)C)OC(=O)N
CAS 674384
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Other Names Amidopropyldimethylbetaine;
Carbamyl-β-methylcholine;
Carbamoyl-β-methylcholine;
Urabeth;
(2-Hydroxypropyl)trimethylammonium carbamate;
2-Carbamoyloxypropyl-trimethylazanium;
2-[(Aminocarbonyl)oxy]-N,N,N-trimethyl-1-propanaminium;
1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-;
2-(Carbamoyloxy)-N,N,N-trimethylpropan-1-aminium

In Other Databases

KEGG C06850
ChemIDPlus 000674384
Wikipedia Bethanechol
ChEMBL CHEMBL1482
DrugBank APRD00051
ChemSpider 2280
PubChem 2370
ChEBI CHEBI:3084