CHEBI:135580 - theodrenaline

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ChEBI Name theodrenaline ChEBI ID CHEBI:135580 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H21N5O5 Net Charge 0 Average Mass 375.380 Monoisotopic Mass 375.15427 InChI InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3 InChIKey WMCMJIGLYZDKRN-UHFFFAOYSA-N SMILES C(CNCC(O)C1=CC(O)=C(C=C1)O)N2C3=C(N=C2)N(C)C(N(C3=O)C)=O ChEBI Ontology Outgoing theodrenaline (CHEBI:135580) is a oxopurine (CHEBI:25810) Synonym Source (+/-)-Theodrenaline DrugCentral Manual Xref Database 2619 DrugCentral View more database links Registry Number Type Source 13460-98-5 CAS Registry Number DrugCentral Last Modified 23 February 2017