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English
N-(10-Oxostrychnidin-2-yl)ethanimidic acid
group of stereoisomers with the chemical formula C₂₃H₂₅N₃O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
391.18959166
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₅N₃O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=Nc1ccc2c(c1)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)Nc1ccc2c(c1)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H25N3O3/c1-12(27)24-14-2-3-17-16(8-14)23-5-6-25-11-13-4-7-29-18-10-20(28)26(17)22(23)21(18)15(13)9-19(23)25/h2-4,8,15,18-19,21-22H,5-7,9-11H2,1H3,(H,24,27)/t15-,18-,19-,21-,22-,23?/m0/s1
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InChIKey
PWABHCZVPPLYLQ-XJZMMIRDSA-N
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CAS Registry Number
58523-48-1
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PubChem CID
3041796
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45887714
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70974082
0 references
DSSTOX compound identifier
DTXCID701401519
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