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(Q82006467)
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English
11-(Diethylamino)-7-imino-7,9-dihydro-5H-benzo[6,7]isoquinolino[1,2-b]quinazoline-8-carboxamide
chemical compound
5H-Benz[6,7]isoquino[1,2-b]quinazoline-8-carboxamide, 11-(diethylamino)-7,9-dihydro-7-imino-
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
411.4998
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₅N₅O
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canonical SMILES
CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C5C4)C(=O)N)C2
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Identifiers
InChI
InChI=1S/C25H25N5O/c1-3-29(4-2)18-10-9-15-12-20-19(13-17(15)11-18)22(24(27)31)23(26)30-14-16-7-5-6-8-21(16)28-25(20)30/h5-12,26H,3-4,13-14H2,1-2H3,(H2,27,31)
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InChIKey
NXWGKPYPFXPEPR-UHFFFAOYSA-N
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CAS Registry Number
7252-92-8
reason for deprecated rank
deprecated identifier value
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70179-78-1
1 reference
InChIKey
NXWGKPYPFXPEPR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=70179-78-1
PubChem CID
112368
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
46498949
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10276118
0 references
DTXSID3072034
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DSSTOX compound identifier
DTXCID20212289
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DTXCID6046630
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NSC number
53893
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