Bitolterol mesylate

CAS Registry Number®

30392-41-7
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CAS Name

Bitolterol mesylate

Molecular Formula

C28H31NO5.CH4O3S

Cite this Page

Bitolterol mesylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=30392-41-7 (retrieved 2021-10-16) (CAS RN: 30392-41-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-172 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)

InChIKey

InChIKey=HODFCFXCOMKRCG-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)O.O(C(=O)C1=CC=C(C)C=C1)C2=C(OC(=O)C3=CC=C(C)C=C3)C=CC(C(CNC(C)(C)C)O)=C2

Canonical SMILES

O=C(OC1=CC=C(C=C1OC(=O)C2=CC=C(C=C2)C)C(O)CNC(C)(C)C)C3=CC=C(C=C3)C.O=S(=O)(O)C

Other Names for this Substance

  • Benzoic acid, 4-methyl-, 1,1′-[4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,2-phenylene] ester, methanesulfonate (1:1)
  • Benzoic acid, 4-methyl-, 4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,2-phenylene ester, methanesulfonate (salt)
  • p-Toluic acid, 4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene ester methanesulfonate (salt)
  • Win 32784
  • Bitolterol mesylate