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ChEBI
> Main
CHEBI:31417 - Clocapramine dihydrochloride
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ChEBI Ontology
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ChEBI Name
Clocapramine dihydrochloride
ChEBI ID
CHEBI:31417
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This entity has been manually annotated by a third party.
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Formulae
C28H39Cl3N4O
C28H39ClN4O.2Cl
Net Charge
0
Average Mass
553.995
Monoisotopic Mass
552.21894
InChI
InChI=1S/C28H37ClN4O.2ClH/c29-
24-
11-
12-
26-
23(21-
24)
10-
9-
22-
7-
2-
3-
8-
25(22)
33(26)
18-
6-
15-
31-
19-
13-
28(14-
20-
31,27(30)
34)
32-
16-
4-
1-
5-
17-
32;;/h2-
3,7-
8,11-
12,21H,1,4-
6,9-
10,13-
20H2,(H2,30,34)
;2*1H
InChIKey
YMMOELGRZRDNCQ-UHFFFAOYSA-N
SMILES
C1CC=2C(N(C=3C1=CC(=CC3)Cl)CCCN4CCC(CC4)(N5CCCCC5)C(N)=O)=CC=CC2.Cl.Cl
ChEBI Ontology
Outgoing
Clocapramine dihydrochloride (
CHEBI:31417
)
is a
polymer (
CHEBI:60027
)
Synonym
Source
Clocapramine dihydrochloride
KEGG COMPOUND
Manual Xref
Database
C12937
KEGG COMPOUND
View more database links
Registry Number
Type
Source
28058-62-0
CAS Registry Number
KEGG COMPOUND
Last Modified
19 February 2018