1-Phenylbiguanide hydrochloride - CAS 55-57-2
Catalog: |
BB029090 |
Product Name: |
1-Phenylbiguanide hydrochloride |
CAS: |
55-57-2 |
Synonyms: |
1-(diaminomethylidene)-2-phenylguanidine;hydrochloride |
IUPAC Name: | 1-(diaminomethylidene)-2-phenylguanidine;hydrochloride |
Description: | 1-Phenylbiguanide hydrochloride is a 5-HT3 receptor agonist. |
Molecular Weight: | 213.67 |
Molecular Formula: | C8H12ClN5 |
Canonical SMILES: | C1=CC=C(C=C1)N=C(N)N=C(N)N.Cl |
InChI: | InChI=1S/C8H11N5.ClH/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H6,9,10,11,12,13);1H |
InChI Key: | FHUDRDSKZQDCBC-UHFFFAOYSA-N |
Boiling Point: | 388.4 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
Storage: | Store in a cool and dry place (or refer to the Certificate of Analysis). |
MDL: | MFCD00035040 |
LogP: | 2.68200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
20187666 | 20100301 | Study of 5HT3 and HT4 receptor expression in HT29 cell line and human colon adenocarcinoma tissues | Archives of Iranian medicine |
12467882 | 20021220 | Receptor subtype specific activation of the rat gastric vagal afferent fibers to serotonin | Life sciences |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0781231 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0781231 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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