5-Hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide | CAS No. 50924-49-7

5-Hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide

Basic Information

CAS Number

50924-49-7

Molecular Formula

C9H13N3O6

Molecular Weight

259.22 g/mol

AD

Basic Physical Properties

Physical State

No data available

Melting Point

>2000C

Boiling Point

402.47°C (rough estimate)

Flash Point

410.9±32.9 °C

Refractive Index

1.5100 (estimate)

Specific Rotation

D27 -35° (c = 0.8 in H2O)

C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N

InChI

InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1

InChIKey

HZQDCMWJEBCWBR-UUOKFMHZSA-N

LogP

-2.700899999999999

pKa

6.75(at 25℃)

Topological Polar Surface Area

151.06000000000003 Ų

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

329

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
H360 May damage fertility or the unborn child
Reproductive toxicity

Toxicity

LD50 in mice (g/kg): >1.5 i.v., >2.4 i.p. (Mizuno, 1975)

Synonyms & References

English

  • Spectrum4_000220
  • NCGC00094087-05
  • 4JR41A10VP
  • N'-(beta-D-Ribofuranosyl)-5-hydroxy-imida-zole-4-carboxamide
  • EX-A2256
  • 5-Hydroxy-1-beta-D-ribofuranosylimidazole-4-carboxamide
  • Tox21_111242_1
  • KBioGR_000859
  • HY-17470
  • NCGC00261430-01
  • BRN 4151713
  • IDI1_000948
  • 5-Hydroxy-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide
  • Tox21_500745
  • AKOS015994615
  • HE 69
  • Mizoribinum
  • MIZORIBINE [INN]
  • MLS006010038
  • MFCD00057221
  • DB12617
  • KBio3_001518
  • Mizoribinum [INN-Latin]
  • Opera_ID_1558
  • BSPBio_002298
  • DivK1c_000948
  • M2399
  • M 3047
  • FD9057
  • J-700185
  • NCGC00094087-04

MDL Number

MFCD30181862

Customs Code

29349990

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