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Pranlukast

C27H23N5O4CAS 103177-37-3481.51 g/mol

Open in Covalent MOL file
OHNONNHNNOO
AmideEther

Properties

Molecular formula
C27H23N5O4
Molar mass
481.51 g/mol
Exact mass
481.1750 Da
logP
4.63Crippen estimate
Polar surface area
123.0 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
9

Identifiers

CAS number
103177-37-3
SMILES
O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1
InChIKey
NBQKINXMPLXUET-UHFFFAOYSA-N
InChI
InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)

Weigh it out

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

Names and synonyms

12 names
  • Benzamide, N-[4-oxo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-
  • Benzamide, N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-
  • N-[4-Oxo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)benzamide
  • RS 411
  • ONO 1078
  • ONO-RS 411
  • SB 205312
  • 8-[4-(4-Phenylbutoxy)benzoyl]amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran
  • Onon
  • CCN 00401
  • Azlaire
  • 4-Oxo-8-[4-(4-phenylbutoxy)benzoylamino]-2-(tetrazol-5-yl)-4H-1-benzopyran

Work with Pranlukast

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

8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran110683-22-246 % similar 4-Benzyloxybenzhydrazide128958-65-631 % similar

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

Elsewhere

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