Rafabegron

CAS Registry Number®

244081-42-3
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CAS Name

Rafabegron

Molecular Formula

C21H23ClN2O4

Molecular Mass

402.87

Cite this Page

Rafabegron.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=244081-42-3 (retrieved 2024-05-19) (CAS RN: 244081-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1

InChIKey

InChIKey=FHEYFIGWYQJVDR-ACJLOTCBSA-N

SMILES

O(CC(O)=O)C1=C2C(C(C[C@H](NC[C@H](O)C3=CC(Cl)=CC=C3)C)=CN2)=CC=C1

Canonical SMILES

O=C(O)COC1=CC=CC=2C(=CNC12)CC(NCC(O)C=3C=CC=C(Cl)C3)C

Other Names for this Substance

  • Acetic acid, 2-[[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-
  • Acetic acid, [[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-
  • 2-[[3-[(2R)-2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]acetic acid
  • AJ 9677
  • TAK 677

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Deleted or Replaced CAS Registry Numbers

868272-65-5

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