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Entecavir-13C2,15N

CAT: 1459-CS-O-06585Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-06585Size:1 Each
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Description
Entecavir-13C2,15N is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Entecavir. The product is supplied by Clearsynth under CAT No. CS-O-06585. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1329796-53-3
Synonyms
Entecavir-13C2,15N
Molecular Formula
C 1013 C 2 H 15 N 415 NO 3
Molecular Weight
280.26
Additionnal Information
Entecavir-13C2,15N is supplied with detailed characterization data compliant with regulatory guideline. Entecavir-13C2,15N can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Entecavir.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Entecavir-13C2,15N
CAS Number1329796-53-3
PubChem CID163285353
IUPAC Name2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
Molecular FormulaC12H15N5O3
Molecular Weight280.26
XLogP-1.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity480
SMILES
C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=[15N]C3=[13C]2N=C(N[13C]3=O)N
InChI
InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1/i10+1,11+1,14+1
InChIKey
QDGZDCVAUDNJFG-MTGFINLASA-N
Chemical Structure
2D Structure
2D structure of Entecavir-13C2,15N
CAS: 1329796-53-3
CID: 163285353
Formula: C12H15N5O3
MW: 280.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.26
XLogP3-1.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass280.12123392
Monoisotopic Mass280.12123392
Topological Polar Surface Area126 Ų
Heavy Atom Count20
Formal Charge0
Complexity480
Isotope Atom Count3
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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