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Home> Encyclopedia >   /  Inorganic Chemicals  /  Organic Intermediates  /  Pharmaceuticals and Biochemicals  /  Pharmaceuticals and Biochemicals  /  Laboratory Chemicals
124832-26-4 structure

Valaciclovir

Iupac Name:2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl
(2S)-2-amino-3-methylbutanoate
CAS No.:124832-26-4
EINECS(EC#): 603-015-6
Molecular Weight:324.3357
Molecular Formula:C13H20N6O4 (isomer)
1. Names and Identifiers
1.1 Synonyms

(S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate (S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate (S)-2-[(2-Amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl-2-amino-3-methylbutanoate_x000D_ (S)-2-Amino-3-methyl-butyric acid 2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester 100MG/1G/1KG 124832-26-4 124832-27-5 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy]ethyl-l-valinate 2-[(2-amino-6-hydroxy-9H-purin-9-yl)methoxy]ethyl L-valinate 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methyl-butanoate 2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]ethyl valinate 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate 2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]oxy}ethyl L-valinate 256U87 832V264 AB00698497-11 AB01275525_02 AB01275525_03 AB01275525-01 AC-11128 Acyclovir-valine AKOS005622706 AKOS007930693 AKOS025149468 AKOS037496964 API0004559 BBL033701 BCP28415 BDBM50162073 BRD-K46435977-003-01-2 BRD-K46435977-003-03-8 BSPBio_002474 BW-256U BW256U87 CHEBI:35854 CHEMBL1349 CS-1356 CTK4B4087 CTK5J8019 D08664 DB00577 DTXSID1023732 GTPL4824 HMS2090D20 HMS2234I15 HSDB 8084 HY-17425 L -valine, 2-[(2-amino-1,6-dihydro-6-oxo-9 H -purin-9-yl)methoxy]ethyl ester, monohydrochloride LS-161293 L-VACV L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine L-Valine ester with 9-[(2-hydroxyethoxy)methyl]guanine L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester L-Valine,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester MLS001304747 MLS006011776 MZ1IW7Q79D NCGC00159520-02 NCGC00178638-04 Q418594 SBI-0206711.P001 SCHEMBL28644 SMR000752514 SMR004703478 STK802272 STL535579 Talavir TXC UNII-MZ1IW7Q79D VACV VALACICLOVIR VALACICLOVIR 99+% Valaciclovir (INN) Valaciclovir [INN:BAN] VALACICLOVIR 99+% VALACICLOVIR HCL VALACICLOVIR HYDROCHLORIDE Valaciclovir Hydrochloride 124832-27-5 / Base Valaciclovir, Valtrex ValaciclovirVal-ACV Valtrex Zelitrex ValaciclovirBase ValACV Val-ACV Valacyclover Valacyclover Hydrochloric VALACYCLOVIR valacyclovir hydrochloride (monohydrate) valacyclovir, (L)-isomer ValacyclovirL-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9- yl)methoxy)ethyl esterL-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester Valcivir Valcyclovir Valcyclovir [INN:BAN] Valtrex Valtrex (TM) Valtrex (TN) Virval W-1892 W-200980 ZB0748 Zelitrex ZINC1530713

1.2 Inchi
InChI=1S/C13H20N6O4/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)/t8-/m0/s1
1.3 InChkey
HDOVUKNUBWVHOX-QMMMGPOBSA-N
1.4 Canonical Smiles
CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
1.5 Isomers Smiles
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
2. Properties
2.1 Appearance
white to off-white crystalline powder
2.2 Density
1.55
2.3 Melting Point
170-172
2.4 Boiling Point
RELATIVE DENSITY
2.5 Flash Point
309.7 °C
2.6 Solubility
170 mg/ml
2.7 HS Code
3002909099
3. Safety and Handling
3.1 Hazard Codes
Xi
3.2 Risk Statements
R36/37/38
3.3 Safety Statements
26-36
3.4 Safety

Safety Information of Valacyclovir hydrochloride (CAS NO.124832-26-4):
Hazard Codes: Xi
Risk Statements: 36/37/38??
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing?

3.5 Specification

?Valacyclovir hydrochloride ,its CAS NO. is 124832-26-4 ,the synonyms is l-Valine 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9yl)methoxy]ethyl ester ; l-Valine 2-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9yl)methoxy]ethyl ester, hydrochloride salt ; l-Valine 2-(guanin-9-ylmethoxy)ethyl ester ; Valaciclovir ; Valaciclovir hcl ; Valaciclovir hydrochloride ; Valacv ; Valacyclovir .?Its classification code are Anti-Infective Agents and Antiviral Agents.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Synthesis Route
124832-26-4Total: 1 Synthesis Route
7. Precursor and Product
precursor:
124832-31-1
124832-31-1
product :
124832-27-5
124832-27-5
8. Computational chemical data
  • Molecular Weight:324.3357g/mol
  • Molecular Formula:C13H20N6O4
  • XLogP3-AA:_0.5
  • Exact Mass:324.154603
  • Monoisotopic Mass:324.154603
  • Complexity:483
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:147
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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