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(Q83076583)
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English
(R*,R*)-4-(Isopropylthio)-alpha-(1-(octylamino)ethyl)benzyl alcohol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
337.24393574
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R,2S)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₅NOS
0 references
canonical SMILES
CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCN[C@H](C)[C@@H](C1=CC=C(C=C1)SC(C)C)O
0 references
Identifiers
InChI
InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20+/m1/s1
0 references
InChIKey
BFCDFTHTSVTWOG-XLIONFOSSA-N
0 references
CAS Registry Number
54767-44-1
0 references
PubChem CID
12953341
1 reference
matched by identifier from
InChIKey
InChIKey
BFCDFTHTSVTWOG-XLIONFOSSA-N
UniChem compound ID
68077128
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30203229
1 reference
matched by identifier from
InChIKey
InChIKey
BFCDFTHTSVTWOG-XLIONFOSSA-N
DSSTOX compound identifier
DTXCID80125720
0 references
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