Basic information
- CAS
20438-03-3- Standard SMILES
CC[n+]1c(-c2ccccc2)c2cc(N=NNc3cccc(C(=N)N)c3)ccc2c2ccc(N)cc21- InChIKey
UGKOYGZYLRKTJH-UHFFFAOYSA-O- Molecular formula
- C28H26N7+
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.22496886
Names & identifiers
- Preferred name
- Isometamidium
- IUPAC
- 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
- English name
- isometamidium chloride
- Molecular weight
- 0
Names & synonyms
Isometamidium20438-03-3Isometamidium ionIsometamidium cationS9HA0WUW3HDTXSID301743848-(3-(M-AMIDINOPHENYL)-2-TRIAZENO)-3-AMINO-5-ETHYL-6-PHENYLPHENANTHRIDINIUMPhenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-RefChem:149542DTXCID8096875Phenanthridinium, 3-Amino-8-(3-(3-(Aminoiminomethyl)Phenyl)-1)-3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
Show more names
3-Amino-8-(3-amidinophenylazoamino)-6-phenyl-5-ethylphenanthridine-5-ium3-Amino-5-ethyl-6-phenyl-8-[1-(3-amidinophenyl)triazene-3-yl]phenanthridinium3-Amino-5-ethyl-6-phenyl-8-[3-(3-amidinophenyl)-2-triazeno]phenanthridine-5-ium3-Amino-8-[3-[3-[amino(imino)methyl]phenyl]-1-triazenyl]-5-ethyl-6-phenylphenanthridin-5-iumPhenanthridinium,3-amino-8-[3-[3-(aminoiminomethyl)phenyl]-2-triazen-1-yl]-5-ethyl-6-phenyl-(E)-3-amino-8-(3-(3-carbamimidoylphenyl)triaz-2-enyl)-5-ethyl-6-phenylphenanthridinium chloride
UNII-S9HA0WUW3H3-[2-(3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)iminohydrazino]benzamidineSCHEMBL913500SCHEMBL7550257CHEMBL2111043SCHEMBL17679335SCHEMBL29357003BDBM50440390
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 735
Physicochemical properties
- FDA UNII
- 9 HA0WUW3H · S9HA0WUW3H
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA.
Uses & manufacturing
Use ClassificationVeterinary Drug -> TRYPANOCIDE -> JECFA Functional Classes
Suppliers2 total
United Life Science020-82099279 18988968278 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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