N-t-Boc Valacyclovir

Basic Information

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CAS Number

502421-44-5

Molecular Formula

C18H28N6O6

Molecular Weight

424.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.397

Refractive Index

1.606

SMILES

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CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N6O6/c1-10(2)11(21-17(27)30-18(3,4)5)15(26)29-7-6-28-9-24-8-20-12-13(24)22-16(19)23-14(12)25/h8,10-11H,6-7,9H2,1-5H3,(H,21,27)(H3,19,22,23,25)/t11-/m0/s1

InChIKey

FGLBYLSLCQBNHV-NSHDSACASA-N

LogP

0.7684000000000006

Topological Polar Surface Area

163.44999999999996 Å²

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

677

Synonyms & References

English

N-t-Boc Valacyclovir
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
N-T-BOC-VALACYCLOVIR,WHITE SOLID
N-tert-Butoxycarbonyl-L-valine-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl Ester
2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl N-[(1,1-dimethylethoxy)carbonyl]-L-valinate
L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester; N-t-Boc Valacyclovir; N-Boc Valaciclovir; 2-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl N-[(1,1-Dimethylethoxy)carbonyl]-L-valinate
VALACICLOVIR HYDROCHLORIDE HYDRATE IMPURITY S [EP IMPURITY]
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
(S)-2-((2-Amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
4YR8G6N3Q3
UNII-4YR8G6N3Q3
DTXSID10436492
2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)methoxy]ethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate
2-((2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)METHOXY)ETHYL N-(TERT-BUTOXYCARBONYL)-L-VALINATE
SCHEMBL6340456
502421-44-5
L-Valine, N-((1,1-dimethylethoxy)carbonyl)-, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester
EC 610-513-7
(S)-2-((2-Imino-6-oxo-2,3-dihydro-1H-purin-9(6H)-yl)methoxy)ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate

MDL Number

MFCD12911413

FAQ

What is N-t-Boc Valacyclovir (CAS: 502421-44-5)?

N-t-Boc Valacyclovir is a prodrug used in the synthesis of valacyclovir, an antiviral medication. It contains the structure of valacyclovir with a tert-butoxycarbonyl (Boc) protecting group attached to the amino group.

What are the main uses of N-t-Boc Valacyclovir (CAS: 502421-44-5)?

N-t-Boc Valacyclovir is primarily used in pharmaceutical manufacturing as an intermediate for the production of valacyclovir, an antiviral drug used to treat herpes simplex and herpes zoster infections.

Is N-t-Boc Valacyclovir (CAS: 502421-44-5) safe?

N-t-Boc Valacyclovir is generally safe when used under proper conditions. However, it is important to follow safety guidelines to prevent skin irritation or allergic reactions. Protective gloves and eyewear should be worn during handling.

How should N-t-Boc Valacyclovir (CAS: 502421-44-5) be stored?

N-t-Boc Valacyclovir should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and contamination.