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CHEBI:52166 - hydrabamine

ChEBI IDCHEBI:52166
ChEBI Namehydrabamine
Stars
Last Modified18 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H64N2
Net Charge0
Average Mass596.988
Monoisotopic Mass596.50695
SMILES[H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCC[C@@]2(C)CNCCNC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@]12[H]
InChIInChI=1S/C42H64N2/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3/t37-,38-,39-,40-,41+,42+/m0/s1
InChIKeyXGIHQYAWBCFNPY-AZOCGYLKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
hydrabamine (CHEBI:52166) is a diamine (CHEBI:23666)
hydrabamine (CHEBI:52166) is conjugate base of hydrabamine(1+) (CHEBI:52170)
Incoming Relation(s)
hydrabamine dihydrochloride (CHEBI:52167) has part hydrabamine (CHEBI:52166)
hydrabamine(1+) (CHEBI:52170) is conjugate acid of hydrabamine (CHEBI:52166)
IUPAC Name 
N,N'-di[abieta-8(14),9(11),12-trien-18-yl]ethane-1,2-diamine
Registry NumbersSources
CAS:125-92-8Beilstein