Chemical Compound

Ebrotidine

CAS Registry Number100981-43-9
Ebrotidine chemical structure
Primary record

Ebrotidine

CAS
100981-43-9
PubChem CID
65869
SMILES
C1=CC(=CC=C1S(=O)(=O)NC=NCCSCC2=CSC(=N2)N=C(N)N)Br
Molecular Formula
C14H17BrN6O2S3
Molecular Weight
477.435
Exact Mass
475.9758
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
ZQHFZHPUZXNPMF-UHFFFAOYSA-N
LogP
2.0505
TPSA
135.82

Names and synonyms

  • Ebrotidine
  • Ebrotidina
  • Ebrotidinum
  • Ebrotiding
  • ebrodin
  • Ebrocit
  • Ulsanic
  • Ebrotidine [INN]
  • 100981-43-9
  • ?Ebrotidine
  • Ebrotidinum [Latin]
  • Ebrotidina [Spanish]
  • TMZ3IBW2OW
  • FI-3542
  • UNII-TMZ3IBW2OW
  • EBROTIDINE [MI]
  • C14H17BrN6O2S3
  • RefChem:136183
  • D0R8FM
  • DTXSID80143601
  • EBROTIDINE [MART.]
  • CCRIS 8106
  • EBROTIDINE [WHO-DD]
  • SCHEMBL33956
  • ZQHFZHPUZXNPMF-UHFFFAOYSA-N
  • AC1L244Z
  • orb1308352
  • SCHEMBL1649379
  • SCHEMBL4560820
  • SCHEMBL4604642