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strychnine N-oxide

Go to external page http://purl.obolibrary.org/obo/CHEBI_132703

A tertiary amine oxide resulting from the oxidation of the non-acylated nitrogen of strychnine. It is a metabolite of strychnine.

Term info

Label

strychnine N-oxide

Synonyms
  • (1S,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0(1,18).0(2,7).0(8,22).0(11,21).0(15,20)]tetracosa-2,4,6,14-tetraen-9-one 17-oxide
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0(1,18).0(2,7).0(8,22).0(11,21).0(15,20)]tetracosa-2,4,6,14-tetraen-9-one 17-oxide [ IUPAC ]

charge

0

formula

C21H22N2O3

has obo namespace

chebi_ontology

has related synonym

strychnine-N-oxide, N-oxystrychnine, strychnine N(6)-oxide, strychnidin-10-one, 19-oxide, strychnine 19-oxide, genostrychnine

id

CHEBI:132703

inchi

InChI=1S/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+,23?/m0/s1

inchikey

ADTDBAKUQAKBGZ-VXJIXCKJSA-N

mass

350.412

monoisotopicmass

350.16304

smiles

C1[C@@]2([N+]3(CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[O-])[H]