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Home> Hot Product Listed P   > Phosphonic acid,[[2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, sodiumsalt, ...
483-10-3 structure

Phosphonic acid,[[2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, sodiumsalt, (S)- (9CI)

CAS No.:483-10-3
EINECS(EC#): 248-619-7
Molecular Weight:354.44274
Molecular Formula:C13H12N2O (isomer)
Names and Identifiers
Synonyms

({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid (2S)-3-Hydroxy-2-phosphonylmethoxypropyl-cytosine (s)-[[2-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]phosphonic acid (S)-1-(3-Hydroxy-2-phosphonomethoxypropyl)cytosine (S)-1-[3-hydroxy-2-(phosphonylmethoxy)-propyl]cytosine (S)-2-(4-Amino-2-oxo-1(2H)-pyrimidinyl-1-(hydroxymethyl)ethoxy)methyl phosphonic acid (S)-HPMPC [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid 1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine 1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]-cytosine dihydrate 120362-37-0 (hydrochloride salt) 69CEED6433621B8A46D90A54CCB6B5EC AC-1666 AC1L1TLB AC1Q6C68 AKOS005145721 C8H14N3O6P CDV CHEBI:3696 CHEMBL152 CID60613 Cidofovir Cidofovir (anhydrous) Cidofovir (Vistide) Cidofovir anhydrous Cidofovir-Supplied by Selleck Chemicals Cidofovirum DAP001083 DB00369 Forvade GS 0504 GS 504 GS-0504 GS504 GS-504 HPMPC HSDB 7115 LS-106432 MolPort-005-935-597 NCGC00184994-01 NSC742135 NSC-742135 Phosphonic acid, ((2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-, (S)- Phosphonic acid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]- S1516_Selleck TX-010671 UNII-768M1V522C Vistide Vistide, Cidofovir VWFCHDSQECPREK-LURJTMIESA-N

Inchi
InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1
Canonical Smiles
COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O
Properties
Melting Point
225-230°C
Boiling Point
434.3 °C at 760 mmHg
Vapour
1.27E-12mmHg at 25°C
Refractive Index
1.66
Solubility
Aqueous solubility >=170 mg/ml @ pH 6-8
Color/Form
Fluffy white powder
White crystalline powder
Spectral properties
Specific optical rotation at 20 deg C for the D (sodium) line: -97.3 deg (c=0.80 in water)
Safety and Handling
Risk Statements
25
Safety Statements
Risk Statements 25Safety Statements 1-20-45RIDADR 1544WGK Germany 3
Transport
1544
Formulations/Preparations
Preparations: Parenteral; for injection, concentrate, for IV infusion only; 75 mg (of anhydrous cidofovir) per mL; Vistide, Gilead Sciences
...Cream containing 1% cidofovir. [Calista D; Eur J Dermatol 12 (6): 562-4 (2002)] PubMed Abstract
Exposure Standards and Regulations
The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl cidofovir, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Other Preventative Measures
Caution should be exercised in preparing, administering, and discarding solutions of cidofovir according to guidelines for handling mutagenic substances. If cidofovir concentrate for injection or a dilute solution of the drug comes in contact with the skin or mucosa, the affected area should be washed immediately and thoroughly with soap and water.
Octanol/Water Partition Coefficient
log Kow = -3.3 @ pH 7.1
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Partially used vials of cidofovir and diluted solutions should be discarded by high temperature incineration.
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:354.44274g/mol
  • Molecular Formula:C13H12N2O
  • XLogP3-AA:2.9
  • Exact Mass:354.194343
  • Monoisotopic Mass:354.194343
  • Complexity:555
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:65.6
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:5
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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