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Technical details about Tenofovir Disoproxil Succinate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 94882wb39e, 1637632-97-3, 2,4,6,8-tetraoxa-5-phosphanonanedioic acid, 5-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, 1,9-bis(1-methylethyl) ester, 5-oxide, butanedioate (1:1), Unii-94882wb39e, Schembl984685, Tenofovir disoproxil succinate [who-dd]
Molecular Formula
C23H36N5O14P
Molecular Weight
637.5  g/mol
InChI Key
CCGIINMVANPRGB-PFEQFJNWSA-N
FDA UNII
94882WB39E

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;butanedioic acid
2.1.2 InChI
InChI=1S/C19H30N5O10P.C4H6O4/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;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H2,(H,5,6)(H,7,8)/t14-;/m1./s1
2.1.3 InChI Key
CCGIINMVANPRGB-PFEQFJNWSA-N
2.1.4 Canonical SMILES
CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(CC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(CC(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
94882WB39E
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 94882wb39e

2. 1637632-97-3

3. 2,4,6,8-tetraoxa-5-phosphanonanedioic Acid, 5-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, 1,9-bis(1-methylethyl) Ester, 5-oxide, Butanedioate (1:1)

4. Unii-94882wb39e

5. Schembl984685

6. Tenofovir Disoproxil Succinate [who-dd]

7. Q27271655

2.4 Create Date
2009-06-29
3 Chemical and Physical Properties
Molecular Weight 637.5 g/mol
Molecular Formula C23H36N5O14P
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Exact Mass637.19963784 g/mol
Monoisotopic Mass637.19963784 g/mol
Topological Polar Surface Area260 Ų
Heavy Atom Count43
Formal Charge0
Complexity791
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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