Basic information
- CAS
149394-66-1- Standard SMILES
Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1.O.O- InChIKey
FPKARFMSZDBYQF-ILKKLZGPSA-N- Molecular formula
- C8H18N3O8P
- Average molar mass
- 315.22 g/mol
- Monoisotopic mass
- 315.08315154
Overview
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.
Names & identifiers
- Preferred 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
- English name
- Cidofovir dihydrate
- Molecular formula
- C8H14N3O6P
- Molecular weight
- 279.187021
Names & synonyms
(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)
Show more names
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]
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 250 °C · >250°C (dec.)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Sparingly), Water (Sparingly)
- form
- Solid
- color
- 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|
- FDA UNII
- 713 Q00N · JIL713Q00N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2933599550 · 2933599550
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
Safety data
- hs_code
- 2933599550
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
CIDOFOVIR DIHYDRATE
Cytomegalovirus Nucleoside Analog DNA Polymerase Inhibitor [EPC]; Nucleoside Analog [EXT]; DNA Polymerase Inhibitors [MoA]
Applications
UsesAn injectable antiviral medication for the treatment of cytomegalovirus (CMV) retinitis in patients with AIDS. It suppresses CMV replication by selective inhibition of viral DNA polymerase and therefo re prevention of viral replication and transcription. It is used in the treatment of acyclovir resistant herpes as well as a complementary intralesional therapy against papillomatosis caused by human papillomavirus (HPV).
UsesCidofovir Dihydrate is used in treatment of pain and combination with analgesics.
Suppliers100 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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