Adefovir | CAS No. 106941-25-7

Adefovir

Basic Information

CAS Number

106941-25-7

Molecular Formula

C8H12N5O4P

Molecular Weight

273.19 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

>260 ºC

Solubility

0.1 M NaOH: ≥5mg/mL

C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)N

InChI

InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)

InChIKey

SUPKOOSCJHTBAH-UHFFFAOYSA-N

LogP

-0.43970000000000053

pKa

pKa1 2.0, pKa2 6.8(at 25℃)

Topological Polar Surface Area

136.38 Ų

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

327

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • 9-[3-(Phosphonomethoxy)ethyl]adenine (PMEA)
  • Z1741977297
  • ADEFOVIR [MART.]
  • ADEFOVIR [WHO-DD]
  • N-(2-Phosphonylmethoxyethyl)adenine
  • FT-0601785
  • 9-PMEA
  • ((2-(6-Amino-9H-purin-9-yl)ethoxy)-methyl)phosphonic acid
  • 106941-25-7 (free acid)
  • 9-(2-Phosphonylmethoxyethyl)adenine
  • UNII-6GQP90I798
  • GS-393
  • DTXSID6046214
  • s5068
  • AC-012
  • PMEA
  • ADEFOVIR [INN]
  • SR-01000945034-1
  • Q353551
  • Adefovir, >=98% (HPLC)
  • HY-B1826
  • NCGC00160539-02
  • ((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid
  • 9-[2-(phosphonomethoxy)ethyl]adenine
  • adefovir(1-)
  • 9-[2-phosphonomethoxyethyl]adenine
  • Tox21_111882
  • 9-(2-Phosphorylmethoxyethyl)adenine
  • Phosphonylmethoxyethyl-a
  • PMEA, GS-393, 9-(2-Phosphonylmethoxyethyl)adenine
  • 6GQP90I798

MDL Number

MFCD00866943

Customs Code

2933990090

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