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(Q82006751)
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(Redirected from
Q82882669
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English
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](bicyclo[2.2.2]oct-5-en-2-yl)methanone hydrochloride(1:1)
chemical compound
(Bicyclo[2.2.2]oct-5-en-2-yl)[4-(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)piperazin-1-yl]methanone--hydrogen chloride (1/1)
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
459.2037175
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀ClN₅O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cc2nc(N3CCN(C(=O)C4CC5C=CC4CC5)CC3)[nH]c(=N)c2cc1OC.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H29N5O3.ClH/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)24)28-9-7-27(8-10-28)22(29)16-11-14-3-5-15(16)6-4-14;/h3,5,12-16H,4,6-11H2,1-2H3,(H2,24,25,26);1H
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InChIKey
IHBVUYHTCGEQHD-UHFFFAOYSA-N
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CAS Registry Number
6638-04-6
reason for deprecated rank
cannot be confirmed by other sources
0 references
99899-45-3
reason for deprecated rank
cannot be confirmed by other sources
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PubChem CID
127443
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UniChem compound ID
52689133
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80276302
0 references
DTXSID00912417
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DSSTOX compound identifier
DTXCID30227622
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DTXCID701341438
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NSC number
47900
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