Marvin  01231208172D          

 19 20  0  0  1  0            999 V2000
    7.1143   -7.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7018   -5.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4469   -6.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5268   -5.8888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818   -6.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9722   -7.9833    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1498   -5.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6399   -6.8449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3428   -5.4472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1143   -7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0878   -6.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2577   -8.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5432   -7.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047   -4.4910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8288   -8.3958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8288   -9.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6853   -8.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9696   -7.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1883   -8.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
 10  1  1  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  4  2  1  0  0  0  0
  8  3  1  0  0  0  0
  5  4  2  0  0  0  0
 12  6  1  0  0  0  0
 14  7  1  0  0  0  0
  9  7  2  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
 15 10  1  0  0  0  0
 13 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  6  0  0  0
  6 17  1  0  0  0  0
  6 18  2  0  0  0  0
  6 19  1  0  0  0  0
M  END
> <ID>
CHEBI:63625

> <NAME>
tenofovir (anhydrous)

> <DEFINITION>
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.

> <STAR>
3

> <SYNONYM>
tenofovir (anh.); anhydrous tenofovir; anh. tenofovir; (R)-PMPA

> <IUPAC_NAME>
({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid

> <INN>
tenofovir

> <FORMULA>
C9H14N5O4P

> <MASS>
287.21230

> <MONOISOTOPIC_MASS>
287.07834

> <CHARGE>
0

> <SMILES>
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(O)=O

> <INCHI>
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1

> <INCHIKEY>
SGOIRFVFHAKUTI-ZCFIWIBFSA-N

> <CAS_REGISTRY_NUMBER>
147127-20-6

> <REAXYS_REGISTRY_NUMBER>
7415378

> <CHEMIDPLUS>
147127-20-6

> <DRUGBANK_ACCESSION>
DB00300

> <KEGG_DRUG_ACCESSION>
D06074

> <LINCS_ACCESSION>
LSM-5340

> <WIKIPEDIA_ACCESSION>
Tenofovir

> <PUBMED_CITATION>
11777298; 25017682; 28166217; 28503983

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