Zalcitabine | CAS No. 7481-89-2

Zalcitabine

Basic Information

CAS Number

7481-89-2

Molecular Formula

C9H13N3O3

Molecular Weight

211.22 g/mol

AD

Basic Physical Properties

Melting Point

217-218 °C

Boiling Point

350.9°C (rough estimate)

Density

1.2605 (rough estimate)

Water Solubility

5-10 g/100 mL at 19 ºC

Flash Point

204.8±31.5 °C

Refractive Index

78 ° (C=0.5, H2O)

Specific Rotation

90° (c=0.5,in H2O)

C1CC(OC1CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1

InChIKey

WREGKURFCTUGRC-POYBYMJQSA-N

LogP

-0.5046000000000004

Topological Polar Surface Area

90.37 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

327

Safety Information

View Safety Information

GHS Hazard Pictograms

H351H351

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

  • Prestwick2_001037
  • ddC & IFN.alpha.
  • SRI-7707_17
  • NCGC00090705-06
  • 5-25-14-00313 (Beilstein Handbook Reference)
  • 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one
  • DTXCID703747
  • 6L3XT8CB3I
  • NCGC00090705-24
  • 2,3-dideoxycytidine
  • Tox21_303169
  • BSPBio_001253
  • ZALCITABINE [USP-RS]
  • MLS001424210
  • NCGC00259204-01
  • NSC 606170
  • Hivid(TM)
  • NCGC00090705-13
  • ZALCITABINE [HSDB]
  • Ro-242027000
  • D 5782
  • HMS1548B19
  • Lecithinized superoxide dismutase & .beta.-D-2',3'-Dideoxycytidine
  • Cytidine, 2',3'-dideoxy-
  • ZALCITABINE [USAN]
  • NCGC00090705-05
  • Dideoxycytidine
  • 2',3'-DIDEOXYCYTIDINE
  • HMS2051H18
  • Ro 24-2027/000
  • Ro-242027000/Ro-24-2027-000

MDL Number

MFCD00012188

Customs Code

2934999090

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