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English
(2R,3S)-3-(Dibenzylamino)-2-hydroxybutyl hexanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
383.246043916
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Hexanoic acid (2S,3S)-3-dibenzylamino-2-hydroxybutyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₃NO₃
0 references
canonical SMILES
CCCCCC(=O)OCC(O)C(C)N(Cc1ccccc1)Cc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCC(=O)OC[C@@H]([C@H](C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O
0 references
Identifiers
InChI
InChI=1S/C24H33NO3/c1-3-4-7-16-24(27)28-19-23(26)20(2)25(17-21-12-8-5-9-13-21)18-22-14-10-6-11-15-22/h5-6,8-15,20,23,26H,3-4,7,16-19H2,1-2H3/t20-,23-/m0/s1
0 references
InChIKey
UEFOKZSZDQVRSZ-REWPJTCUSA-N
0 references
CAS Registry Number
871948-91-3
0 references
PubChem CID
11574521
1 reference
matched by identifier from
InChIKey
InChIKey
UEFOKZSZDQVRSZ-REWPJTCUSA-N
UniChem compound ID
33047594
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40468827
1 reference
matched by identifier from
InChIKey
InChIKey
UEFOKZSZDQVRSZ-REWPJTCUSA-N
DSSTOX compound identifier
DTXCID30419646
0 references
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