Basic information
- CAS
104-32-5- Standard SMILES
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1- InChIKey
WTFXJFJYEJZMFO-UHFFFAOYSA-N- Molecular formula
- C17H20N4O2
- Average molar mass
- 312.37 g/mol
- Monoisotopic mass
- 312.15862589
Overview
Propamidine is a polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis. It has a role as an antimicrobial agent and an antiseptic drug. It is a member of guanidines, an aromatic ether and a polyether. It is functionally related to a propane-1,3-diol. It is a conjugate base of a propamidine(2+).
Names & identifiers
- Preferred name
- Propamidine
- IUPAC
- 4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
- English name
- Propamidine
- Molecular formula
- C17H20N4O2
- Molecular weight
- 312.37
Names & synonyms
Propamidine104-32-5PropamidinaPropamidinum4,4'-(Trimethylenedioxy)dibenzamidineDTXSID6048674M&B 782 FREE BASEM&B-782 FREE BASE4,4'-(1,3-Propanediylbis(oxy))bis-benzenecarboximidamideG20G12V769DTXCID6028600CHEBI:87462
Show more names
DAPPBrolenePropamidine,75%4,4'-(1,3-Propanediyl)bis(oxy)bisbenzamidine4,4'-[1,3-Propanediylbis(oxy)]dibenzenecarboximidamide4,4'-[1,3-Propanediylbis(oxy)]bis(benzenecarbimidamide)4,4'-(1,3-Propanediylbis(oxy))bisbenzenecarboximidamideBenzenecarboxiMidaMide,4,4'-[1,3-propanediylbis(oxy)]bis-
DAPP-H1,3-bis(p-amidinophenoxy)propane1,3-di-(4-amidinophenoxy)propane1,3-di-(p-amidinophenoxymethyl)-propaneRefChem:176252D08AC03S01AX154-(3-(4-carbamimidoylphenoxy)propoxy)benzene-1-carboximidamide
Database identifiers
- CAS
104-32-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 497.3 · 497.3±55.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.75 · 12.75±0.50(Predicted)
- FDA UNII
- 20 G12V769 · G20G12V769
- ATC code
- 8 AC03,S01AX15 · D08AC03,S01AX15
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
S - Sensory organs
QS - Sensory organs
QD - Dermatologicals
MeSH Pharmacological ClassificationSubstances that are destructive to protozoans.
Uses & manufacturing
Uses
Propamidine isethionate used as antiprotozoal agent (Trypanosoma), antiamebic agent, and topical anti-infective; [Merck Index]
Using Disinfectants or Biocides [Category: Clean]
Applications
Usesas isethionate.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
2 records
Compound notes
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