Pentamidine

Systematic / IUPAC Name: 4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

ID: Reference2430

Other Names: Pentacarinat;
Pentamidinum;
Pentamidin;
Pentam;
Pentamide ; more

Formula: C19H24N4O2

Class: Therapeutics/Prescription Drugs

Spectral Data

Pentamidine 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 Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 164
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/4/2015 12:13:18 PM
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Identificators

InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChI Key XDRYMKDFEDOLFX-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
CAS 100334
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Other Names Pentacarinat;
Pentamidinum;
Pentamidin;
Pentam;
Pentamide;
Pneumopent;
1,3-Bis(4-amidinophenoxy)pentane;
1,5-Bis(4-amidinophenoxy)pentane;
4-{[5-(4-Carbamimidoylphenoxy)pentyl]oxy}benzene-1-carboximidamide;
Pentacrinat

In Other Databases

ChemSpider 4573
HMDb HMDB14876
ChEMBL CHEMBL55
KEGG D08333; C07420; D00834
ChemIDPlus 000140647; 000100334; 006823796
ChEBI CHEBI:45081
DrugBank DB00738
Wikipedia Pentamidine
PubChem 4735