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(Q82881564)
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English
Methyl 8-ethyl-10-(hydroxymethyl)-2-methoxy-7,8,9,10,12,13-hexahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole-6(6aH)-carboxylate
group of stereoisomers with the chemical formula C₂₃H₃₀N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
398.2205574399999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1CC2N3CCc4c([nH]c5ccc(OC)cc45)C2(C(=O)OC)CC1C3CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC1C[C@@H]2N3CCc4c([nH]c5ccc(OC)cc45)[C@]2(C(=O)OC)C[C@@H]1C3CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H30N2O4/c1-4-13-9-20-23(22(27)29-3)11-17(13)19(12-26)25(20)8-7-15-16-10-14(28-2)5-6-18(16)24-21(15)23/h5-6,10,13,17,19-20,24,26H,4,7-9,11-12H2,1-3H3/t13?,17-,19?,20-,23-/m0/s1
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InChIKey
AHWBYIVXFGPCHZ-ASEBLZFVSA-N
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CAS Registry Number
110011-72-8
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PubChem CID
184144
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
44547674
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90911434
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DSSTOX compound identifier
DTXCID101340470
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