Propantheline

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Systematic / IUPAC Name: N-Isopropyl-N-methyl-N-{2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl}-2-propanaminium

ID: Reference2347

Other Names: Propanthelinium;
Propanthelinum;
Propanthel;
2-Propanaminium, N-methyl-N-(1-methylethyl)-N-{2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl}-;
Pro banthine ; more

Formula: C23H30NO3 +

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

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

View Mass Spectra

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 2/27/2015 10:54:01 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
InChI Key VVWYOYDLCMFIEM-UHFFFAOYSA-N
Canonical SMILES CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C
CAS
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Other Names Propanthelinium;
Propanthelinum;
Propanthel;
2-Propanaminium, N-methyl-N-(1-methylethyl)-N-{2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl}-;
Pro banthine;
Methaphyllin;
Propanline;
Spastheline;
Ercoril;
Prokind

In Other Databases

DrugBank DB00782
KEGG C07506
HMDb HMDB14920
PubChem 4934
Wikipedia Propantheline bromide
ChEMBL CHEMBL1180725
ChemIDPlus 000298500; 076726948
ChemSpider 4765