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(Q83035346)
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English
5-((4-(4-(Diisobutylamino)butyl)-1-phenyl)acetyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-11-one
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
511.31987755200004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₄₁N₃O₂
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canonical SMILES
CC(C)CN(CCCCC1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42)CC(C)C
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Identifiers
InChI
InChI=1S/C33H41N3O2/c1-24(2)22-35(23-25(3)4)20-10-9-11-26-16-18-27(19-17-26)21-32(37)36-30-14-7-5-12-28(30)33(38)34-29-13-6-8-15-31(29)36/h5-8,12-19,24-25H,9-11,20-23H2,1-4H3,(H,34,38)
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InChIKey
NWABYTQGWGJUFJ-UHFFFAOYSA-N
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CAS Registry Number
156586-94-6
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PubChem CID
133015
1 reference
matched by identifier from
InChIKey
InChIKey
NWABYTQGWGJUFJ-UHFFFAOYSA-N
UniChem compound ID
29747812
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70166102
1 reference
matched by identifier from
InChIKey
InChIKey
NWABYTQGWGJUFJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0088593
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