Ibuterol

CAS Registry Number®

53034-85-8
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CAS Name

Ibuterol

Molecular Formula

C20H31NO5

Molecular Mass

365.46

Cite this Page

Ibuterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53034-85-8 (retrieved 2024-09-07) (CAS RN: 53034-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31NO5/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4/h8-10,12-13,17,21-22H,11H2,1-7H3

InChIKey

InChIKey=WKHOPHIMYDJVSA-UHFFFAOYSA-N

SMILES

C(CNC(C)(C)C)(O)C1=CC(OC(C(C)C)=O)=CC(OC(C(C)C)=O)=C1

Canonical SMILES

O=C(OC=1C=C(OC(=O)C(C)C)C=C(C1)C(O)CNC(C)(C)C)C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 1,1′-[5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene] ester
  • Propanoic acid, 2-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester
  • KWD 2058
  • Ibuterol