Regadenoson | CAS No. 313348-27-5

Regadenoson

Basic Information

CAS Number

313348-27-5

Molecular Formula

C15H18N8O5

Molecular Weight

390.36 g/mol

AD

Basic Physical Properties

Melting Point

158-160°C

CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N

InChI

InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1

InChIKey

LZPZPHGJDAGEJZ-AKAIJSEGSA-N

LogP

-2.434699999999998

Topological Polar Surface Area

186.45999999999998 Ų

Hydrogen Bond Donor/Acceptor

6 / 13

Complexity

587

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
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

Synonyms & References

English

  • AC-35838
  • CS-5612
  • DTXSID4057712
  • REGADENOSON [INN]
  • 313348-27-5
  • CCG-268525
  • 2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]adenosine
  • CHEMBL317052
  • Tox21_113668
  • AKOS026750593
  • 1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-methyl-1H-pyrazole-4-carboxamide
  • DB06213
  • Regadenoson [USAN:INN]
  • CHEBI:135613
  • Regadenoson (USAN/INN)
  • CAS-313348-27-5
  • 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide
  • UNII-7AXV542LZ4
  • (1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-N-methylcarboxamide
  • REGADENOSON [MART.]
  • BDBM50119132
  • BP-58629
  • DTXCID5031501
  • CVT 3146
  • 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
  • D05711
  • 6-Amino-2-[4-(methylcarbamoyl)-1H-pyrazol-1-yl]purine-9-yl-beta-D-ribofuranoside;1-(6-amino-9-((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yloxy)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
  • AMY27715
  • Adenosine, 2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]-
  • GTPL5596
  • EN300-19633972

MDL Number

MFCD09832544

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