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| CAS No.: | 124832-27-5 |
|---|---|
| Name: | Valacyclovir hydrochloride |
| Article Data: | 12 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C13H21ClN6O4 |
| Molecular Weight: | 360.801 |
| Synonyms: | L-Valine,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester,monohydrochloride (9CI);L-Valine, ester with 9-((2-hydroxyethoxy)methyl)guanine,;Valacyclovir HCL; |
| EINECS: | 641-092-8 |
| Density: | 1.55g/cm3 |
| Melting Point: | 170-172 °C |
| Boiling Point: | 588.4 °C at 760 mmHg |
| Flash Point: | 309.7 °C |
| Appearance: | White to off-white crystalline power |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 151.14000 |
| LogP: | 1.28590 |
- 124832-31-1L-Valine,N-[(phenylmethoxy)carbonyl]-,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester
- 124-83-41,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, (1R,3S)-
- 124839-61-8Benzonitrile,4-hydrazinyl-3-nitro-
- 1248-42-6Benzoic acid,2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1)
- 1248501-80-51-(4-fluorophenyl)-1H-pyrazole-3,5-diamine
- 1248541-99-21H-Benzimidazole-7-carboxamide, 2-[1,1'-biphenyl]-4-yl-
- 124858-35-11H,5H-Benzo[ij]quinolizine-2-carboxylicacid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-
- 124861-40-1Phycobiliviolin
- 1248686-50-11-tert-butyl-1H-pyrazole-3,5-diamine
- 124869-92-7L-Glutamine,N2-[N-[N-[1-[3-phenyl-2-[[N2-(N2-L-seryl-L-glutaminyl)-L-asparaginyl]amino]propyl]-L-prolyl]-L-isoleucyl]-L-valyl]-,(S)- (9CI)
- 124832-31-1
2-[(2-amino-1,6-dihydro-6-oxo-9H-purine-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-[(2-amino-1,6-dihydro-6-oxo-9H-purine-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate With 5 % alumina-supported palladium; hydrogen In N,N-dimethyl-formamide at 30℃; under 2942.29 Torr; Stage #2: With hydrogenchloride In water at 10℃; pH=3 - 4; | 98.5% |
| With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In water at 25 - 30℃; under 2250.23 - 6000.6 Torr; Concentration; | 92% |
| With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In water at 25 - 30℃; under 2250.23 - 6000.6 Torr; | 92% |
- 59277-89-3
acycloguanosine
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 3.5 g / 4-dimethylaminopyridine; DCC / dimethylformamide / 66 h / 20 °C 2: aq. HCl; hydrogen / palladium on charcoal / methanol; tetrahydrofuran / 18 h / 20 °C View Scheme |
- 102728-64-3
9-[(acetoxyethoxy)methyl]guanine
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: SIRC cell lysate; Dulbecco's Modified Phosphite-Buffer Saline / 34 °C / pH 7.4 2: 3.5 g / 4-dimethylaminopyridine; DCC / dimethylformamide / 66 h / 20 °C 3: aq. HCl; hydrogen / palladium on charcoal / methanol; tetrahydrofuran / 18 h / 20 °C View Scheme |
- 124832-31-1
2-[(2-amino-1,6-dihydro-6-oxo-9H-purine-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate
B
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; formic acid; palladium In water; acetone |
- 124832-26-4
Valacyclovir
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water; N,N-dimethyl-formamide; acetonitrile at 0 - 5℃; for 0.5h; pH=2; Product distribution / selectivity; | |
| With hydrogenchloride In water; ethyl acetate; N,N-dimethyl-formamide at 5 - 50℃; for 0.5h; pH=2; Product distribution / selectivity; | |
| With hydrogenchloride In water; N,N-dimethyl-formamide; isopropyl alcohol at 3 - 5℃; for 0.5h; pH=2; Product distribution / selectivity; | |
| With hydrogenchloride In tetrahydrofuran; water; N,N-dimethyl-formamide at 15℃; for 0.5h; pH=2; Product distribution / selectivity; | |
| With hydrogenchloride In water; N,N-dimethyl-formamide; acetone at 5 - 50℃; for 0.5h; pH=2; Product distribution / selectivity; |
- 502421-44-5
Boc-L-valacyclovir
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; dichloromethane; water at 80℃; Solvent; Temperature; Flow reactor; | 31 g |
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| With water In ethanol at 20 - 75℃; Product distribution / selectivity; Heating / reflux; |
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| With water In ethanol at 20℃; | |
| With water In N,N-dimethyl-formamide at 51℃; for 0.166667h; |
- 124832-27-5
valacyclovir Hydrochloride
| Conditions | Yield |
|---|---|
| With water In ethanol at 20℃; |
- 124832-27-5
valacyclovir Hydrochloride
- 59277-89-3
acycloguanosine
| Conditions | Yield |
|---|---|
| With ammonia In methanol; chloroform at 20℃; for 0.25h; |
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Chemistry
Molecular Structure:
Molecular Formula: C13H21ClN6O4
Molecular Weight: 360.80
IUPAC Name: 2-[(2-Amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrochloride
Synonyms of Valaciclovir Hydrochloride (CAS NO.124832-27-5): L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester, monohydrochloride ; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester, monohydrochloride ; Valaciclovir hydrochloride ; Valacyclovir ; Valtrex
CAS NO: 124832-27-5
H bond acceptors: 10
H bond donors: 5
Freely Rotating Bonds: 9
Polar Surface Area: 92.5 Å2
Flash Point: 309.7 °C
Enthalpy of Vaporization: 87.84 kJ/mol
Boiling Point: 588.4 °C at 760 mmHg
Vapour Pressure: 7.95E-14 mmHg at 25°C
Melting Point: 170-172°C
Appearance: White Crystalline Powder
SMILES: Cl.O=C(OCCOCn1c2N\C(=N/C(=O)c2nc1)N)[C@@H](N)C(C)C
InChI: InChI=1/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
InChIKey: ZCDDBUOENGJMLV-QRPNPIFTBK
Std. InChI: InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
Std. InChIKey: ZCDDBUOENGJMLV-QRPNPIFTSA-N
Product Categories of Valaciclovir Hydrochloride (CAS NO.124832-27-5): Active Pharmaceutical Ingredients;Nucleotides and Nucleosides;Bases & Related Reagents;Intermediates & Fine Chemicals;Nucleotides;Pharmaceuticals;API's;Valacyclovir
Uses
Valaciclovir Hydrochloride (CAS NO.124832-27-5) is used as anti-virus medicament.
Safety Profile
Safety Information of Valaciclovir Hydrochloride (CAS NO.124832-27-5):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.