Philanthotoxin

CAS Registry Number®

115976-91-5
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CAS Name

Philanthotoxin

Molecular Formula

C23H41N5O3

Molecular Mass

435.60

Cite this Page

Philanthotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77108-00-0 (retrieved 2024-04-25) (CAS RN: 115976-91-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-4-3-13-25-15-6-16-26-14-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1

InChIKey

InChIKey=VRQNABCCOFCGJL-NRFANRHFSA-N

SMILES

[C@H](CC1=CC=C(O)C=C1)(C(NCCCCNCCCNCCCN)=O)NC(CCC)=O

Canonical SMILES

O=C(NC(C(=O)NCCCCNCCCNCCCN)CC1=CC=C(O)C=C1)CCC

Other Names for this Substance

  • Benzenepropanamide, N-[4-[[3-[(3-aminopropyl)amino]propyl]amino]butyl]-4-hydroxy-α-[(1-oxobutyl)amino]-, (αS)-
  • Benzenepropanamide, N-[4-[[3-[(3-aminopropyl)amino]propyl]amino]butyl]-4-hydroxy-α-[(1-oxobutyl)amino]-, (S)-
  • (αS)-N-[4-[[3-[(3-Aminopropyl)amino]propyl]amino]butyl]-4-hydroxy-α-[(1-oxobutyl)amino]benzenepropanamide
  • δ-Philanthotoxin
  • PTX 433

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Deleted or Replaced CAS Registry Numbers

77108-00-0

CAS INSIGHTSTM
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