1-(morpholine-4-carboximidoyl)guanidine hydrochloride

• ChemBase ID: 37610
• Molecular Formular: C6H14ClN5O
• Molecular Mass: 207.66126
• Monoisotopic Mass: 207.08868777
• SMILES: C(=N)(NC(=N)N)N1CCOCC1.Cl
• Canonical SMILES: N=C(N1CCOCC1)NC(=N)N.Cl
• InChI: InChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H
• InChIKey: FXYZDFSNBBOHTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholine-4-carboximidoyl)guanidine hydrochloride
• IUPAC Traditional name: virustat hydrochloride; 1-(morpholine-4-carboximidoyl)guanidine hydrochloride
• Synonyms: N-[Amino(imino)methyl]morpholine-4-carboximidamide hydrochloride; Moroxydine hydrochloride; N-(Aminoiminomethyl)-4-morpholinecarboximidamide hydrochloride; Moroxydine hydrochloride; N-(2-胍基-亚胺甲基)-吗啉 盐酸盐; 吗啉胍 盐酸盐

Database IDs

• CAS Number: 3160-91-6; 3731-59-7
• EC Number: 223-093-1
• MDL Number: MFCD00012798
• PubChem SID: 24856823; 161000917
• PubChem CID: 76621

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -5.9631705
• LogD (pH = 7.4): -5.6971397
• Log P: -1.1369298
• Molar Refractivity: 65.7172 cm^3
• Polarizability: 16.682163 Å^3
• Polar Surface Area: 98.22 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211-214 °C(lit.)

Safety Information

• Storage Condition: -20°C
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Salt Data: hydrochloride
• Empirical Formula (Hill Notation): C6H13N5O · HCl

DETAILS

Selleck Chemicals - S2486

Research Area: Infection
Biological Activity:
Moroxydine HCl is a synthetic antiviral drug chemically belonging to the series of the heterocyclic biguanidines. Structurally moroxydine is a heterocyclic biguanidine. [1] It possesses antiviral activity and is of value in the prevention and treatment of influenza. Although its mechanism of action is not fully known the effects seem to be due to an influence on the virus host-cell system. Oral medication has been shown to be effective against influenza, and small doses taken over a period of time have been shown to protect animals against influenza and other viral conditions. After preliminary trials with intramuscular injections the oral form of medication has been proven to be equally effective: pain usually disappears after two days, temperature reaches normal values and the lesion ceases to spread.

Sigma Aldrich - 278610

Packaging
1 g in glass bottle

REFERENCES

• http://en.wikipedia.org/wiki/Moroxydine