loading...| Preferred Name |
adefovir |
|
| Synonyms |
{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid Adefovir 9-(2-Phosphonylmethoxyethyl)adenine 9-(2-(Phosphonomethoxy)ethyl)adenine N-(2-Phosphonylmethoxyethyl)adenine DRG-0156 GS 0393 GS 393 GS-0393 HSDB 8079 PMEA |
|
| Definitions |
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2469 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:10676990 PMID:27079793 PMID:14647052 PMID:27746441 PMID:27858892 Wikipedia:Adefovir PMID:27698751 CAS:106941-25-7 PMID:27664568 PMID:27806120 DrugBank:DB00718 PMID:11796353 PMID:27649318 PMID:24338503 PMID:15866657 Beilstein:3561094 Reaxys:3561094 PMID:28123560 PMID:28397817 PMID:28011962 PMID:28081595 PMID:14978283 PMID:28436380 PDBeChem:5HG PMID:22976988 PMID:27381944 PMID:27880997 PMID:27729626 KEGG:C11277 PMID:27977591 PMID:28079295 PMID:28322924 KEGG:D02768 |
|
| formula |
C8H12N5O4P |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_53756 http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_49103 |
|
| has_alternative_id |
CHEBI:40188 |
|
| has_exact_synonym |
{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid Adefovir |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
9-(2-Phosphonylmethoxyethyl)adenine 9-(2-(Phosphonomethoxy)ethyl)adenine N-(2-Phosphonylmethoxyethyl)adenine DRG-0156 GS 0393 GS 393 GS-0393 HSDB 8079 PMEA |
|
| has_RxCUI |
16521 |
|
| id |
CHEBI:2469 |
|
| in_subset | ||
| inchi |
InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) |
|
| inchikey |
SUPKOOSCJHTBAH-UHFFFAOYSA-N |
|
| is conjugate acid of | ||
| label |
adefovir |
|
| mass |
273.186 |
|
| monoisotopicmass |
273.06269 |
|
| notation |
CHEBI:2469 |
|
| prefixIRI |
CHEBI:2469 |
|
| prefLabel |
adefovir |
|
| smiles |
N1(C2=C(C(N)=NC=N2)N=C1)CCOCP(O)(=O)O |
|
| textual definition |
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_26069 |