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English
CPD-1
chemical compound
LS-193743
(3S)-3-methyl-1-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperazine
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
284.11364776
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₁₅F₃N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CN(CCN1)C2=C3C(=C(C=C2)C(F)(F)F)C=CO3
0 references
isomeric SMILES
C[C@H]1CN(CCN1)C2=C3C(=C(C=C2)C(F)(F)F)C=CO3
0 references
Identifiers
InChI
InChI=1S/C14H15F3N2O/c1-9-8-19(6-5-18-9)12-3-2-11(14(15,16)17)10-4-7-20-13(10)12/h2-4,7,9,18H,5-6,8H2,1H3/t9-/m0/s1
0 references
InChIKey
RZSIBGYUCGYDKG-VIFPVBQESA-N
0 references
PubChem CID
9925822
1 reference
matched by identifier from
InChIKey
InChIKey
RZSIBGYUCGYDKG-VIFPVBQESA-N
UniChem compound ID
33029763
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901336526
1 reference
matched by identifier from
InChIKey
InChIKey
RZSIBGYUCGYDKG-VIFPVBQESA-N
UNII
ZZ7JB9QBU3
1 reference
matched by identifier from
InChIKey
InChIKey
RZSIBGYUCGYDKG-VIFPVBQESA-N
Google Knowledge Graph ID
/g/11kn34g2n4
0 references
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CPD-1
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