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(Q76085240)
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English
(2S,8R)-2-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-7-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
255.137162164
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₇N₃O
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canonical SMILES
CC1c2[nH]c3ccccc3c2CC2C(=O)NCCN21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1C2=C(C[C@H]3N1CCNC3=O)C4=CC=CC=C4N2
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Identifiers
InChI
InChI=1S/C15H17N3O/c1-9-14-11(10-4-2-3-5-12(10)17-14)8-13-15(19)16-6-7-18(9)13/h2-5,9,13,17H,6-8H2,1H3,(H,16,19)/t9-,13+/m0/s1
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InChIKey
DKSMUBDQKJDJFZ-TVQRCGJNSA-N
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CAS Registry Number
50302-70-0
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PubChem CID
206445
1 reference
matched by identifier from
InChIKey
InChIKey
DKSMUBDQKJDJFZ-TVQRCGJNSA-N
UniChem compound ID
62317805
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20198312
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
DKSMUBDQKJDJFZ-TVQRCGJNSA-N
DSSTOX compound identifier
DTXCID50120803
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