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(Q82304437)
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English
SCHEMBL1926982
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.19223451600004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
4-{2-[(1S)-1-Aminoethyl]-1,3-thiazol-4-yl}-2,6-di-tert-butylphenol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₈N₂OS
0 references
canonical SMILES
CC(N)c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](C1=NC(=CS1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)N
0 references
Identifiers
InChI
InChI=1S/C19H28N2OS/c1-11(20)17-21-15(10-23-17)12-8-13(18(2,3)4)16(22)14(9-12)19(5,6)7/h8-11,22H,20H2,1-7H3/t11-/m1/s1
0 references
InChIKey
FBBHSSXFCYJCBE-LLVKDONJSA-N
0 references
CAS Registry Number
717915-85-0
0 references
PubChem CID
11851964
1 reference
matched by identifier from
InChIKey
InChIKey
FBBHSSXFCYJCBE-LLVKDONJSA-N
UniChem compound ID
33165323
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80474427
1 reference
matched by identifier from
InChIKey
InChIKey
FBBHSSXFCYJCBE-LLVKDONJSA-N
DSSTOX compound identifier
DTXCID70425241
0 references
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