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ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 2 EU WC, 4 KDMF, 1 NDC API, 1 Listed Suppliers

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2 EU WC
4 KDMF
1 NDC API
1 Listed Suppliers

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1 FDF Dossiers

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1 BioAnalytical Methods

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1 BioAnalytical Methods

Synopsis

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$ 615

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Chemistry

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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

Tenofovir Disoproxil Succinate

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 Formula	C₂₃H₃₆N₅O₁₄P
Molecular Weight	637.5 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	20
Exact Mass	637.19963784 g/mol
Monoisotopic Mass	637.19963784 g/mol
Topological Polar Surface Area	260 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	791
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2