(S)-(((1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic Acid Dihydrate
Grundinformationen
- CAS
149394-66-1- Standard-SMILES
Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1.O.O- InChIKey
FPKARFMSZDBYQF-ILKKLZGPSA-N- Summenformel
- C8H18N3O8P
- Durchschnittliche Molmasse
- 315,22 g/mol
- Monoisotopische Masse
- 315,08315154
Überblick
Cidofovir dihydrate is the dihydrate of the anhydrous form of cidofovir. A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. It has a role as an antineoplastic agent and an antiviral drug. It contains a member of cidofovir anhydrous.
Namen und Bezeichner
- Bevorzugter Name
- (S)-(((1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic Acid Dihydrate
- IUPAC
- [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;dihydrate
- Englischer Name
- Cidofovir dihydrate
- Summenformel
- C8H14N3O6P
- Molmasse
- 279.187021
Namen und Synonyme
(S)-(((1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl)oxy)methyl)phosphonic acid dihydrate(S)-[[[1-[4-Amino-2-oxopyrimidin-1(2H)-yl]-3-hydroxypropan-2-yl]oxy]methyl]phosphonic Acid DihydrateRefChem:407569814-987-8Cidofovir dihydrate149394-66-1Cidofovir hydrateCidofovir hydrate (1:2)Cidofovir (dihydrate)UNII-JIL713Q00NMFCD16556167({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid--water (1/2)
Weitere Namen anzeigen
Gs-0504Drg-0145Cidovir HydrateGS 0504 HydrateVistide HydrateHPMPC dihydrate(S)-HPMPC Hydrate
({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrate[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid;dihydratePhosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2)Cidofovir [USAN:INN:BAN]Vistide dihydrateVistide (TN)Cidofovir (USAN/INN)CIDOFOVIR [USAN]
Datenbank-Bezeichner
- CAS
149394-66-1- PubChem CID
- 60933
- DTXSID
DTXSID6041002- ChEMBL
CHEMBL5314375- ChEBI
CHEBI:59495- UNII
- JIL713Q00N
- EC Number
- 814-987-8
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 148 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 417
Physikochemische Eigenschaften
- Schmelzpunkt
- 250 °C · >250°C (dec.)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- DMSO (Sparingly), Water (Sparingly)
- Aggregatzustand
- Solid
- Farbe
- White
- InChI
- InChI=1/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/s3
- InChIKey
- VWFCHDSQECPREK-ISZMHOAENA-N
- SMILES
- N1C(=O)N(C[C@@H](CO)OCP(O)(=O)O)C=CC=1N |&1:5,r|
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
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P316, P302+P352, P308+P316, P318, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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. 3 (33.3%)
Sicherheitsdaten
- hs_code
- 2933599550
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
CIDOFOVIR DIHYDRATE
Cytomegalovirus Nucleoside Analog DNA Polymerase Inhibitor [EPC]; Nucleoside Analog [EXT]; DNA Polymerase Inhibitors [MoA]
Anwendungen
VerwendenCidofovir Dihydrate is used in treatment of pain and combination with analgesics.
Anbieter100 Anbieter
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Ergänzende Hinweise
DefinitionChEBI: The dihydrate of the anhydrous form of cidofovir. A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.
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