(-)-Barettin

CAS Registry Number®

104311-70-8

CAS Name

(-)-Barettin

Molecular Formula

C17H19BrN6O2

Molecular Mass

419.28

Cite this Page

(-)-Barettin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104311-70-8 (retrieved 2024-12-12) (CAS RN: 104311-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-/t12-/m0/s1

InChIKey

InChIKey=YYFNNPXWRXQUPR-JVXNRYDGSA-N

SMILES

C(\C=1C=2C(NC1)=CC(Br)=CC2)=C\3/C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3

Canonical SMILES

O=C1NC(C(=O)NC1=CC2=CNC=3C=C(Br)C=CC23)CCCNC(=N)N

Other Names for this Substance

  • Guanidine, N-[3-[(2S)-5-[(5Z)-(6-bromo-1H-indol-3-yl)methylene]-3,6-dioxo-2-piperazinyl]propyl]-
  • Guanidine, [3-[(2S,5Z)-5-[(6-bromo-1H-indol-3-yl)methylene]-3,6-dioxo-2-piperazinyl]propyl]-
  • N-[3-[(2S)-5-[(5Z)-(6-Bromo-1H-indol-3-yl)methylene]-3,6-dioxo-2-piperazinyl]propyl]guanidine
  • Barettin
  • (-)-Barettine

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Deleted or Replaced CAS Registry Numbers

606933-69-1

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background