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CHEMBL167003
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(Aminomethyl)-5-methylhexanoic acid
1 reference
based on heuristic
inferred from InChIKey
mass
159.125928784
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
pregabalin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₇NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CC(CN)CC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C[C@@H](CN)CC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m1/s1
0 references
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
0 references
CAS Registry Number
148553-51-9
1 reference
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=148553-51-9
PubChem CID
125889
1 reference
matched by identifier from
InChIKey
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
40561619
1 reference
matched by identifier from
InChIKey
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
SureChEMBL ID
SCHEMBL263450
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
DSSTox substance ID
DTXSID90276292
1 reference
matched by identifier from
InChIKey
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
DSSTOX compound identifier
DTXCID80227612
0 references
UNII
81R7ZI0HBG
1 reference
matched by identifier from
InChIKey
InChIKey
AYXYPKUFHZROOJ-SSDOTTSWSA-N
Probes And Drugs ID
PD158909
0 references
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