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(Q83111724)
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English
3-Isobutyl-3,4,7,12-tetrahydro-1H-(1,2,5)triazepino(1,2-b)phthalazine-1,5(2H)-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
287.3574
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₁N₃O₂
0 references
canonical SMILES
CC(C)CN1CC(=O)N2CC3=CC=CC=C3CN2C(=O)C1
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Identifiers
InChI
InChI=1S/C16H21N3O2/c1-12(2)7-17-10-15(20)18-8-13-5-3-4-6-14(13)9-19(18)16(21)11-17/h3-6,12H,7-11H2,1-2H3
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InChIKey
HUQPVVTXTXEMPF-UHFFFAOYSA-N
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CAS Registry Number
81215-71-6
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PubChem CID
334643
1 reference
matched by identifier from
InChIKey
InChIKey
HUQPVVTXTXEMPF-UHFFFAOYSA-N
UniChem compound ID
43604536
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80230949
1 reference
matched by identifier from
InChIKey
InChIKey
HUQPVVTXTXEMPF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60153440
0 references
NSC number
340347
0 references
UNII
HY28JR0QYN
1 reference
matched by identifier from
InChIKey
InChIKey
HUQPVVTXTXEMPF-UHFFFAOYSA-N
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