Aplysamine 2

CAS Registry Number®

172486-24-7
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CAS Name

Aplysamine 2

Molecular Formula

C23H28Br3N3O4

Molecular Mass

650.20

Cite this Page

Aplysamine 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=172486-24-7 (retrieved 2024-05-18) (CAS RN: 172486-24-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-87 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28Br3N3O4/c1-29(2)9-4-10-33-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(32-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20+

InChIKey

InChIKey=RCOAHKXJTMBQLI-VFCFBJKWSA-N

SMILES

O(CCCN(C)C)C1=C(Br)C=C(CCNC(/C(/CC2=CC(Br)=C(OC)C=C2)=N/O)=O)C=C1Br

Canonical SMILES

O=C(NCCC1=CC(Br)=C(OCCCN(C)C)C(Br)=C1)C(=NO)CC2=CC=C(OC)C(Br)=C2

Other Names for this Substance

  • Benzenepropanamide, 3-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-α-(hydroxyimino)-4-methoxy-, (αE)-
  • Benzenepropanamide, 3-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-α-(hydroxyimino)-4-methoxy-, (E)-
  • (αE)-3-Bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-α-(hydroxyimino)-4-methoxybenzenepropanamide
  • Aplysamine 2

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