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(Q82292916)
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English
(3aS,7aS)-Benzyl 2-(bromomethyl)-2-methoxyhexahydrofuro[3,2-b]pyridine-4(2H)-carboxylate
group of stereoisomers with the chemical formula C₁₇H₂₂BrNO₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
383.07322028399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂BrNO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC1(CBr)CC2C(CCCN2C(=O)OCc2ccccc2)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1(CBr)C[C@H]2[C@H](CCCN2C(=O)OCc2ccccc2)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H22BrNO4/c1-21-17(12-18)10-14-15(23-17)8-5-9-19(14)16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15-,17?/m0/s1
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InChIKey
NTZWMRWDIVWIJJ-GIIGEWEBSA-N
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CAS Registry Number
304436-19-9
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PubChem CID
11451915
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
33785711
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40466363
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DSSTOX compound identifier
DTXCID30417182
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