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1R,3R,4R Entecavir

ISO 17034:
Catalog Number : CS-T-21665
CAS Number : 1367369-76-3
Status : Available for immediate dispatch
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Chemical Information

Chemical Name : 1R,3R,4R Entecavir
Category : Chiral
Molecular Formula : C12H15N5O3
Application : "(1R,3R,4R)-Entecavir is an isomeric impurity of Entecavir.;Impurity in commercial preparations of Entecavir"
Therapeutic : Antiretroviral / Anti-HIV

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Additional Information

Canonical SMILES : C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N
Isomeric SMILES : C=C1[C@@H](C[C@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=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
InchIKey : QDGZDCVAUDNJFG-XLPZGREQSA-N
IUPAC Name : 2-amino-9-[(1R,3R,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
Exact Mass : 277.11748936

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