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(Q7394830)
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STS-135
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
382.24204183200004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₁FN₂O
0 references
canonical SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(C5=CC=CC=C54)CCCCCF
0 references
different from
5-fluoro-APINACA
0 references
Identifiers
InChI
InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/57404059
retrieved
April 2018
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
0 references
CAS Registry Number
1354631-26-7
2 references
imported from Wikimedia project
English Wikipedia
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1354631-26-7
PubChem CID
57404059
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
ChEBI ID
186830
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)
UniChem compound ID
44424021
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40725427
1 reference
matched by identifier from
InChIKey
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90676172
0 references
UNII
E6917946XH
1 reference
matched by identifier from
InChIKey
InChIKey
COYHGVCHRRXECF-UHFFFAOYSA-N
Probes And Drugs ID
PD133243
0 references
Freebase ID
/m/0ndx3z_
0 references
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STS-135 (drug)
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