chempirical

Tegaserod

C16H23N5OCAS 145158-71-0301.39 g/mol

Open in Covalent MOL file
NHHNNHNNHO
EtherGuanidineHydrazone

Properties

Molecular formula
C16H23N5O
Molar mass
301.39 g/mol
Exact mass
301.1903 Da
logP
2.81Crippen estimate
Polar surface area
85.3 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
7

Identifiers

CAS number
145158-71-0
SMILES
CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12
InChIKey
IKBKZGMPCYNSLU-UHFFFAOYSA-N
InChI
InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)

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Names and synonyms

2 names
  • Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-
  • 2-[(5-Methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide

Work with Tegaserod

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook