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Famciclovir(CAS No. 104227-87-4)

Famciclovir C14H19N5O4 (cas 104227-87-4) Molecular Structure

104227-87-4 Structure

Identification and Related Records

【Name】
Famciclovir
【Iupac name】
[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate
【CAS Registry number】
104227-87-4
【Synonyms】
Amciclovir
BRL 42810
[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate
FCV
1,3-Propanediol, 2-(2-(2-amino-9H-purin-9-yl)ethyl)-, diacetate (ester)
2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetate (ester)
Diacetyl 6-deoxy-9-(4-hydroxy-3-hydroxymethyl-but-1-yl)guanine
Famvir
1,3-Propanediol,2-[2-(2-amino-9H-purin-9- yl)ethyl]-,diacetate (ester)
Butenafine Hydrochloride
Famcyclovir
【Molecular Formula】
C14H19N5O4 (Products with the same molecular formula)
【Molecular Weight】
321.33
【Inchi】
InChI=1/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
【Canonical SMILES】
CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C
【MOL File】
104227-87-4.mol

Chemical and Physical Properties

【Appearance】
off-white powder
【Density】
1.4g/cm3
【Melting Point】
102-104°C
【Boiling Point】
550.2 °C at 760 mmHg
【Vapour】
3.73E-12mmHg at 25°C
【Refractive Index】
1.628
【Flash Point】
286.6 °C
【Solubilities】
Insoluble
【Storage temp】
Store in original container in a cool dark place.
【Computed Properties】
Molecular Weight:321.33176 [g/mol]
Molecular Formula:C14H19N5O4
XLogP3:0
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:9
Tautomer Count:3
Exact Mass:321.143704
MonoIsotopic Mass:321.143704
Topological Polar Surface Area:122
Heavy Atom Count:23
Formal Charge:0
Complexity:404
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:151

Safety and Handling

【Hazard Codes】
T: Toxic;
【Risk Statements】
R20/21/22
【Safety Statements 】
36/37/39-45-53
【Safety】

Safety Information of Famciclovir (CAS NO.104227-87-4):
Hazard Codes: TToxic
Risk Statements: 20/21/22-45-61??
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R45:May cause cancer.?
R61:May cause harm to the unborn child.
Safety Statements: 36/37/39-45-53
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S53:Avoid exposure - obtain special instructions before use.

【Specification】

?Famciclovir , its CAS NO. is 104227-87-4, the synonyms are 2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol
diacetate (ester) ; Famciclovirum ; Famvir ; 1,3-Propanediol, 2-(2-(2-amino-9H-purin-9-yl)ethyl)-, diacetate (ester) .

Use and Manufacturing

【Usage】

Used as an antiviral. Prodrug of penciclovir

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

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