Salmeterol xinafoate

CAS Registry Number®

94749-08-3
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CAS Name

Salmeterol xinafoate

Molecular Formula

C25H37NO4.C11H8O3

Cite this Page

Salmeterol xinafoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=94749-08-3 (retrieved 2021-10-19) (CAS RN: 94749-08-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-138 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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)

InChIKey

InChIKey=XTZNCVSCVHTPAI-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=CC1C(O)=O)C=CC=C2.C(CNCCCCCCOCCCCC1=CC=CC=C1)(O)C2=CC(CO)=C(O)C=C2

Canonical SMILES

O=C(O)C=1C=CC=2C=CC=CC2C1O.OC1=CC=C(C=C1CO)C(O)CNCCCCCCOCCCCC=2C=CC=CC2

Other Names for this Substance

  • 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

Deleted or Replaced CAS Registry Numbers

143982-79-0