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(Q82259978)
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(R)-PNU-109291
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
409.23654185199996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
PNU109291
0 references
chemical formula
C₂₄H₃₁N₃O₃
0 references
canonical SMILES
CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC
0 references
isomeric SMILES
CNC(=O)C1=CC2=C(C=C1)[C@H](OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)OC
0 references
Identifiers
InChI
InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m1/s1
0 references
InChIKey
UDLSEQDYARNKTL-HSZRJFAPSA-N
0 references
CAS Registry Number
187665-60-7
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
PNU109291
0 references
187665-61-8
2 references
stated in
SciFinder
stated in
CAS Common Chemistry
retrieved
31 December 2022
reference URL
https://commonchemistry.cas.org/detail?cas_rn=187665-61-8
InChIKey
UDLSEQDYARNKTL-HSZRJFAPSA-N
based on heuristic
InChIKey match
PubChem CID
10621491
1 reference
matched by identifier from
InChIKey
InChIKey
UDLSEQDYARNKTL-HSZRJFAPSA-N
ChEMBL ID
CHEMBL71798
0 references
UniChem compound ID
128100
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00442608
1 reference
matched by identifier from
InChIKey
InChIKey
UDLSEQDYARNKTL-HSZRJFAPSA-N
DSSTOX compound identifier
DTXCID00393429
0 references
UNII
VY762J4L4K
1 reference
matched by identifier from
InChIKey
InChIKey
UDLSEQDYARNKTL-HSZRJFAPSA-N
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