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(Q72437470)
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English
Alosetron hydrochloride
chemical compound
2,3,4,5-Tetrahydro-5-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1H-pyrido[4,3-b]indol-1-one hydrochloride
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₁₇H₁₉ClN₄O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
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InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
132414-02-9
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PubChem CID
44558893
1 reference
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
60758
1 reference
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
ChEBI ID
53783
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H
SureChEMBL ID
SCHEMBL635233
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
SCHEMBL806
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
SCHEMBL311317
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
DSSTox substance ID
DTXSID8044208
1 reference
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
UNII
2F5R1A46YW
1 reference
matched by identifier from
InChIKey
InChIKey
FNYQZOVOVDSGJH-UHFFFAOYSA-N
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