Valacyclovir-d8 HCl

CAT: 1596-AR-A01344-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01344-02Size:25 Units

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CAS Number

1279033-32-7

Synonyms

(S) -2- ((2-amino-6-oxo-3H-purin-9 (6H) -yl) methoxy) ethyl 2-amino-3-methylbutanoate-D8 hydrochloride; L-Valine-d8 2-[ (2-Amino-1,6-dihydro-6-oxo-9H-purin-9yl) methoxy]ethyl Ester Hydrochlroride Salt; 256U-d8; 256U87-d8 Hydrochloride; BW 256-d8; BW 256U87-d8; Valaciclovir-d8 Hydrochloride; Valtrex-d8; Zelitrex-d8

Molecular Formula

C13H12N6O4D8. HCl

Molecular Weight

332.39 36.46

API Name

Acyclovir

Chemical Information

Valacyclovir-d8 HCl (L-valine-d8)

CAS Number	1279033-32-7
PubChem CID	136205834
IUPAC Name	2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoate;hydrochloride
Molecular Formula	C13H21ClN6O4
Molecular Weight	368.84
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	483

SMILES

[2H][C@@](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N.Cl

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/i1D3,2D3,7D,8D;

InChIKey

ZCDDBUOENGJMLV-HVFXBKHYSA-N

Chemical Structure

2D Structure

CAS: 1279033-32-7

CID: 136205834

Formula: C13H21ClN6O4

MW: 368.84

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	368.84
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	368.1814948
Monoisotopic Mass	368.1814948
Topological Polar Surface Area	147 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	483
Isotope Atom Count	8
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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FV178785-01	Bis valacyclovir
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Valacyclovir-d8 HCl

Chemical Information

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