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English
16-[(Propan-2-yl)oxy]strychnidin-10-one
group of stereoisomers with the chemical formula C₂₄H₂₈N₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
392.209992756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₈N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)OC12CC3C4=CCOC5CC(=O)N6c7ccccc7C1(CCN2C4)C6C53
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)O[C@]12C[C@H]3C4=CCO[C@H]5CC(=O)N6c7ccccc7C1(CCN2C4)[C@@H]6[C@H]53
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H28N2O3/c1-14(2)29-24-12-16-15-7-10-28-19-11-20(27)26-18-6-4-3-5-17(18)23(24,22(26)21(16)19)8-9-25(24)13-15/h3-7,14,16,19,21-22H,8-13H2,1-2H3/t16-,19-,21-,22-,23?,24+/m0/s1
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InChIKey
MTHDSPZMZKVWPJ-SPPGWEOZSA-N
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CAS Registry Number
70689-94-0
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PubChem CID
3054016
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62995566
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50990927
0 references
DSSTOX compound identifier
DTXCID501418015
0 references
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