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crisugabalin
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
Crisugabalin.svg
475 × 285; 20 KB
0 references
mass
209.141578848
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₉NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)CC1(CN)C2CCC3CC2C1C3
0 references
isomeric SMILES
C(C(O)=O)[C@@]1(CN)[C@@]2([C@@]3([C@]1(CC[C@](C2)(C3)[H])[H])[H])[H]
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Identifiers
InChI
InChI=1S/C12H19NO2/c13-6-12(5-11(14)15)9-2-1-7-3-8(9)10(12)4-7/h7-10H,1-6,13H2,(H,14,15)/t7-,8-,9+,10-,12-/m0/s1
0 references
InChIKey
WCEFMBSFXJUREW-LIJGXYGRSA-N
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CAS Registry Number
2209104-84-5
0 references
PubChem CID
139300919
1 reference
matched by identifier from
InChIKey
InChIKey
WCEFMBSFXJUREW-LIJGXYGRSA-N
SureChEMBL ID
SCHEMBL21144566
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCEFMBSFXJUREW-LIJGXYGRSA-N
UNII
Q3MK7E8686
1 reference
matched by identifier from
InChIKey
InChIKey
WCEFMBSFXJUREW-LIJGXYGRSA-N
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Crisugabalin
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