Tenofovir Alafenamide Fumarate
Grundinformationen
- CAS
1392275-56-7- Standard-SMILES
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.O=C(O)/C=C/C(=O)O- InChIKey
SVUJNSGGPUCLQZ-FQQAACOVSA-N- Summenformel
- C46H62N12O14P2
- Durchschnittliche Molmasse
- 1.069 g/mol
- Monoisotopische Masse
- 1.068,39836869
Überblick
Tenofovir alafenamide fumarate is a fumarate salt prepared from tenofovir alafenamide by reaction of one molecule of fumaric acid for every two molecules of tenofovir alafenamide. A prodrug for tenofovir, it is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug, a prodrug and a HIV-1 reverse transcriptase inhibitor. It contains a tenofovir alafenamide(1+).
Namen und Bezeichner
- Bevorzugter Name
- Tenofovir Alafenamide Fumarate
- IUPAC
- (E)-but-2-enedioic acid;bis(propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate)
- Englischer Name
- Tenofovir alafenamide hemifumarate
- Summenformel
- C25H33N6O9P
- Molmasse
- 592.55
Namen und Synonyme
Tenofovir Alafenamide fumarate1392275-56-7tenofovir alafenamide hemifumarateGS-7340 HemifumarateGS-7340-03CHEBI:90923FWF6Q91TZOTENOFOVIR ALAFENAMIDE FUMARATE (2:1)TAFDESCOVY COMPONENT TENOFOVIR ALAFENAMIDE FUMARATEODEFSEY COMPONENT TENOFOVIR ALAFENAMIDE FUMARATESYMTUZA COMPONENT TENOFOVIR ALAFENAMIDE FUMARATE
Weitere Namen anzeigen
GS7340(Tenofovir Alafenamide Fumarate)N-[(S)-[[(1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-L-alanine 1-methylethyl ester (2E)-2-butenedioate (2:1)L-Alanine,N-[(S)-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-, 1-methylethyl ester, (2E)-2-butenedioate (2:1)Anti-HIVAPI-Anti-HBVTenofovir AlafenamidGS-7340 (hemifumarate)Alafenamide hemifumaratePhosphonoformic Acid Fumarate
BIKTARVY COMPONENT TENOFOVIR ALAFENAMIDE FUMARATETENOFOVIR ALAFENAMIDE FUMARATE COMPONENT OF ODEFSEY1-METHYLETHYL N-((S)-(((1R)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL(PHENOXYPHOSPHINOYL)-L-ALANINATE, (2E)-2-BUTENEDIOATEbis(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-enedioatebis(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-enedioatebis{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-enedioatebis{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-enedioateL-Alanine, N-((S)-(((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinyl)-, 1-methylethyl ester, (2E)-2-butenedioate (2:1)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 362 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 24
- Frei drehbare Bindungen
- 26
- Schwere Atome
- 74
- Formalladung
- 0
- Komplexität
- 799
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antiviral Agents; Anti-HIV Agents; Anti-Retroviral Agents; Reverse Transcriptase Inhibitors
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- 75 · DMSO:75.0(Max Conc. mg/mL);70.16(Max Conc. mM)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- InChIKey
- MEJAFWXKUKMUIR-GQDWUREHNA-N
- SMILES
- C(/C(=O)O)=C\C(=O)O.C(N1C=NC2=C(N=CN=C12)N)[C@@H](C)OCP(=O)(N[C@@H](C)C(=O)OC(C)C)OC1C=CC=CC=1 |&1:19,26,r|
- CAS Datenbank
- 1392275 · 1392275-56-7
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Toxikologische Informationen
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: Tenofovir alafenamide fumarate is a fumarate salt prepared from tenofovir alafenamide by reaction of one molecule of fumaric acid for every two molecules of tenofovir alafenamide. A prodrug for tenofovir, it is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug, a HIV-1 reverse transcriptase inhibitor and a prodrug. It contains a tenofovir alafenamide(1+).
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