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Overview

Client Email Product
1392275-56-7 
PharmaCompass
1392275-56-7 
Also known as: 1392275-56-7, Gs-7340-03, Vemlidy, Unii-fwf6q91tzo, Fwf6q91tzo, Tenofovir alafenamide fumarate [usan]
Molecular Formula
C46H62N12O14P2
Molecular Weight
1069.02  g/mol
InChI Key
SVUJNSGGPUCLQZ-FQQAACOVSA-N

1 2D Structure

1392275-56-7 

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-but-2-enedioic acid;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
2.1.2 InChI
InChI=1S/2C21H29N6O5P.C4H4O4/c2*1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h2*5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1
2.1.3 InChI Key
SVUJNSGGPUCLQZ-FQQAACOVSA-N
2.1.4 Canonical SMILES
CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3.CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O
2.1.5 Isomeric SMILES
C[C@H](CN1C=NC2=C1N=CN=C2N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C[C@H](CN1C=NC2=C1N=CN=C2N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Gs-7340

2. Tenofovir Alafenamide

3. Vemlidy

2.2.2 Depositor-Supplied Synonyms

1. 1392275-56-7

2. Gs-7340-03

3. Vemlidy

4. Unii-fwf6q91tzo

5. Fwf6q91tzo

6. Tenofovir Alafenamide Fumarate [usan]

7. Chembl2364637

8. Chebi:90923

9. Ex-a2641

10. Ac-30255

11. Tenofovir Alafenamide Fumarate (usan/jan)

12. Gs-734003

13. D10605

14. (s)-isopropyl 2-(((s)-((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate Hemifumarate

15. 1-methylethyl N-((s)-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinoyl)-l-alaninate, (2e)-2-butenedioate

16. Bis{9-[(2r,5s,7e)-2,7,10-trimethyl-5,8-dioxo-5-phenoxy-3,9-dioxa-6-aza-5lambda5-phosphaundecan-1-yl]-9h-purin-6-aminium} (2e)-but-2-enedioate

17. Bis{propan-2-yl N-[(s)-({[(2r)-1-(6-amino-9h-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-l-alaninate} (2e)-but-2-enedioate

18. L-alanine, N-((s)-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinyl)-, 1-methylethyl Ester, (2e)-2-butenedioate (2:1)

2.3 Create Date
2013-06-10
3 Chemical and Physical Properties
Molecular Weight 1069.02 g/mol
Molecular Formula C46H62N12O14P2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count26
Exact Mass1068.398 g/mol
Monoisotopic Mass1068.398 g/mol
Topological Polar Surface Area362 A^2
Heavy Atom Count74
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Drug and Medication Information
4.1 Drug Indication

Vemlidy is indicated for the treatment of chronic hepatitis B in adults and adolescents (aged 12 years and older with body weight at least 35 kg)


Vemlidy is indicated for the treatment of chronic hepatitis B in adults and adolescents (aged 12 years and older with body weight at least 35 kg).


5 Pharmacology and Biochemistry
5.1 ATC Code

Anatomical main group: J - General antiinfectives for systemic use

Therapeutic subgroup: J05 - Antivirals for systemic use

Pharmacological subgroup: J05A - Agents affecting the virus directly

Chemical subgroup: J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors

Chemical substance: J05AF13 - tenofovir alafenamide


J05AF


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