chempirical

Salmeterol xinafoate

C36H45NO7CAS 94749-08-3603.76 g/mol

Open in Covalent MOL file
OHOHOHOHOHNOHO
AlcoholCarboxylic acidEtherPhenolSecondary amine

Properties

Molecular formula
C36H45NO7
Molar mass
603.76 g/mol
Exact mass
603.3196 Da
Melting point
137–138 °C
logP
6.35Crippen estimate
Polar surface area
139.5 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
17

Identifiers

CAS number
94749-08-3
SMILES
O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
InChIKey
XTZNCVSCVHTPAI-UHFFFAOYSA-N
InChI
InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Naphthalenecarboxylic acid, 1-hydroxy-, compd. with (±)-4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-1,3-benzenedimethanol (1:1)
  • 2-Naphthalenecarboxylic acid, 1-hydroxy-, compd. with 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-1,3-benzenedimethanol (1:1)
  • 1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-, (±)-, 1-hydroxy-2-naphthalenecarboxylate (salt)
  • 1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-, 1-hydroxy-2-naphthalenecarboxylate (salt)
  • GR 33343G
  • SN 408
  • Salmeterol hydroxynaphthoate
  • Siduomi
  • Serevent
  • GR 3343G
  • Salmetedur
  • Arial
  • Serevent diskus

Work with Salmeterol xinafoate

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

Salmeterol89365-50-470 % similar Vilanterol trifenatate503070-58-457 % similar Vilanterol503068-34-653 % similar 1-Hydroxy-2-naphthoic acid86-48-640 % similar Levalbuterol tartrate661464-94-437 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-836 % similar Salbutamol18559-94-935 % similar (-)-Salbutamol34391-04-335 % similar

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

Elsewhere

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