Ebrotidine

CAS Registry Number®

100981-43-9
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CAS Name

Ebrotidine

Molecular Formula

C14H17BrN6O2S3

Molecular Mass

477.42

Cite this Page

Ebrotidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=100981-43-9 (retrieved 2024-04-19) (CAS RN: 100981-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142.5-146 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C14H17BrN6O2S3/c15-10-1-3-12(4-2-10)26(22,23)19-9-18-5-6-24-7-11-8-25-14(20-11)21-13(16)17/h1-4,8-9H,5-7H2,(H,18,19)(H4,16,17,20,21)

InChIKey

InChIKey=ZQHFZHPUZXNPMF-UHFFFAOYSA-N

SMILES

C(SCCN/C=N/S(=O)(=O)C1=CC=C(Br)C=C1)C=2N=C(NC(=N)N)SC2

Canonical SMILES

O=S(=O)(N=CNCCSCC=1N=C(SC1)NC(=N)N)C2=CC=C(Br)C=C2

Other Names for this Substance

  • Benzenesulfonamide, N-[[[2-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]ethyl]amino]methylene]-4-bromo-, [N(E)]-
  • Benzenesulfonamide, N-[[[2-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]ethyl]amino]methylene]-4-bromo-, (E)-
  • [N(E)]-N-[[[2-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]ethyl]amino]methylene]-4-bromobenzenesulfonamide
  • Ebrotidine
  • FI 3542

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