Ombrabulin

CAS Registry Number®

181816-48-8
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CAS Name

Ombrabulin

Molecular Formula

C21H26N2O6

Molecular Mass

402.44

Cite this Page

Ombrabulin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=181816-48-8 (retrieved 2024-05-10) (CAS RN: 181816-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1

InChIKey

InChIKey=IXWNTLSTOZFSCM-YVACAVLKSA-N

SMILES

O(C)C1=C(OC)C=C(/C=C\C2=CC(NC([C@H](CO)N)=O)=C(OC)C=C2)C=C1OC

Canonical SMILES

O=C(NC1=CC(=CC=C1OC)C=CC2=CC(OC)=C(OC)C(OC)=C2)C(N)CO

Other Names for this Substance

  • Propanamide, 2-amino-3-hydroxy-N-[2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-, (2S)-
  • Propanamide, 2-amino-3-hydroxy-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-, [S-(Z)]-
  • (2S)-2-Amino-3-hydroxy-N-[2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
  • Ombrabulin

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