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SCHEMBL7739354
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
237.136493468
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
1,1-Dimethylethyl [(2R)-2-hydroxy-2-phenylethyl]carbamate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₉NO₃
0 references
canonical SMILES
CC(C)(C)OC(=O)NCC(O)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)NC[C@H](C1=CC=CC=C1)O
0 references
Identifiers
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1
0 references
InChIKey
FSRZPRRAZVZKFE-LLVKDONJSA-N
0 references
CAS Registry Number
281670-47-1
0 references
PubChem CID
11413712
1 reference
matched by identifier from
InChIKey
InChIKey
FSRZPRRAZVZKFE-LLVKDONJSA-N
SureChEMBL ID
SCHEMBL7739354
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FSRZPRRAZVZKFE-LLVKDONJSA-N
UniChem compound ID
7965284
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50465120
1 reference
matched by identifier from
InChIKey
InChIKey
FSRZPRRAZVZKFE-LLVKDONJSA-N
DSSTOX compound identifier
DTXCID60415939
0 references
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