CHEBI:31239 - Arotinolol hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Arotinolol hydrochloride
ChEBI ID CHEBI:31239
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C15H21N3O2S3.HCl
C15H22ClN3O2S3
Net Charge 0
Average Mass 408.006
Monoisotopic Mass 407.05627
InChI InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H
InChIKey XXDAXBZYUXLDRD-UHFFFAOYSA-N
SMILES Cl.C(C)(NCC(CSC1=NC(=CS1)C=2SC(=CC2)C(=O)N)O)(C)C
ChEBI Ontology
Outgoing Arotinolol hydrochloride (CHEBI:31239) is a aromatic amide (CHEBI:62733)
Arotinolol hydrochloride (CHEBI:31239) is a thiophenes (CHEBI:26961)
Synonym Source
Arotinolol hydrochloride KEGG COMPOUND
Manual Xref Database
D01830 KEGG DRUG
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Registry Number Type Source
68377-91-3 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017