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Tenofovir disoproxil

CAT: 0926-FT140296-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FT140296-01Size:5 g
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CAS Number
201341-05-1
MDL Number
MFCD00952920
Smiles
C[C@H] (CN1C=NC2=C (N=CN=C21) N) OCP (=O) (OCOC (=O) OC (C) C) OCOC (=O) OC (C) C
Molecular Formula
C19H30N5O10P
Molecular Weight
519.44 g/mol
Controlled
No

Chemical Information

Tenofovir Disoproxil

Tenofovir disoproxil is an organic phosphonate that is the disoproxil ester of tenofovir. A prodrug for tenofovir, an HIV-1 reverse transcriptase inhibitor, tenofovir disoproxil is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. It has a role as an antiviral drug, a prodrug and a HIV-1 reverse transcriptase inhibitor. It is functionally related to a tenofovir (anhydrous).

CAS Number201341-05-1
PubChem CID5481350
IUPAC Name[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
Molecular FormulaC19H30N5O10P
Molecular Weight519.4
XLogP1.6
Topological Polar Surface Area185
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count35
Formal Charge0
Complexity698
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
InChI
InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
InChIKey
JFVZFKDSXNQEJW-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Tenofovir Disoproxil
CAS: 201341-05-1
CID: 5481350
Formula: C19H30N5O10P
MW: 519.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass519.17302917
Monoisotopic Mass519.17302917
Topological Polar Surface Area185 Ų
Heavy Atom Count35
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T7111-01Tenofovir Disoproxil
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