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(Q82898317)
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English
1-{1-[(2-Chlorophenyl)methyl]-1H-pyrrol-3-yl}-2-[di(butan-2-yl)amino]ethan-1-ol
group of stereoisomers with the chemical formula C₂₁H₃₁ClN₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
362.21249129200004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₁ClN₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)N(CC(O)c1ccn(Cc2ccccc2Cl)c1)C(C)CC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)N(C[C@H](O)c1ccn(Cc2ccccc2Cl)c1)[C@H](C)CC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)19-11-12-23(14-19)13-18-9-7-8-10-20(18)22/h7-12,14,16-17,21,25H,5-6,13,15H2,1-4H3/t16-,17?,21+/m1/s1
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InChIKey
DXSAFOUUFFFLGO-PQLKOCLTSA-N
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CAS Registry Number
122450-26-4
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PubChem CID
5747939
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50505226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00924176
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DSSTOX compound identifier
DTXCID301353019
0 references
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