chempirical

Isoprinosine

C24H34N6O9CAS 36703-88-5550.57 g/mol

Open in Covalent MOL file
OHNOOHHONOHONNOHNNOHHO
AlcoholCarboxylic acidEtherPhenolTertiary amine

Properties

Molecular formula
C24H34N6O9
Molar mass
550.57 g/mol
Exact mass
550.2387 Da
logP
0.06Crippen estimate
Polar surface area
227.1 Ų
H-bond donors / acceptors
7 / 12
Rotatable bonds
6
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
36703-88-5
SMILES
CC(O)=Nc1ccc(C(=O)O)cc1.CC(O)CN(C)C.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
InChIKey
PBJNZCQJMWVIRT-IDIVVRGQSA-N
InChI
InChI=1S/C10H12N4O5.C9H9NO3.C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3/t4-,6-,7-,10-;;/m1../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • Inosine, compd. with 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (1:3:3)
  • 2-Propanol, 1-(dimethylamino)-, 4-(acetylamino)benzoate (salt), compd. with inosine (3:1)
  • Inosiplex
  • Isoprinosin
  • NPT 10381
  • Methisoprinol
  • Inosine pranobex
  • Inosine acedobene dimepranol
  • Delimmun
  • Aviral
  • Modimmunal
  • Pranosina
  • Pranosine
  • Viruxan
  • NP 113
  • Groprinosin
  • Metyzoprynol
  • Imunovir
  • Immunovir
  • Inosine, compd. with 1-(dimethylamino)-2-propanol 4-(acetylamino)benzoate (salt) (1:3)
  • Benzoic acid, 4-(acetylamino)-, compd. with 1-(dimethylamino)-2-propanol and inosine (3:3:1)

Work with Isoprinosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Inosine58-63-955 % similar Dimepranol acedoben61990-51-055 % similar N6-Benzoyladenosine4546-55-848 % similar N6-Dimethyladenosine2620-62-447 % similar N2,N2-Dimethylguanosine2140-67-245 % similar Vidarabine5536-17-444 % similar Adenosine58-61-744 % similar N6-Methyladenosine1867-73-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook