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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:135739 - xenytropium
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ChEBI Ontology
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ChEBI Name
xenytropium
ChEBI ID
CHEBI:135739
Stars
This entity has been manually annotated by a third party.
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Formula
C30H34NO3
Net Charge
+1
Average Mass
456.597
Monoisotopic Mass
456.25332
InChI
InChI=1S/C30H34NO3/c1-
31(20-
22-
12-
14-
24(15-
13-
22)
23-
8-
4-
2-
5-
9-
23)
26-
16-
17-
27(31)
19-
28(18-
26)
34-
30(33)
29(21-
32)
25-
10-
6-
3-
7-
11-
25/h2-
15,26-
29,32H,16-
21H2,1H3/q+1/t26-
,27+,28+,29?,31?
InChIKey
QDCILXFPWMMNQY-DNYGJFJUSA-N
SMILES
C([N+]1(C)[C@H]2C[C@@H](C[C@@H]1CC2)OC(C(CO)C3=CC=CC=C3)=O)C4=CC=C(C=C4)C5=CC=CC=C5
ChEBI Ontology
Outgoing
xenytropium (
CHEBI:135739
)
is a
piperidines (
CHEBI:26151
)
Synonym
Source
xenytropium bromide
DrugCentral
Manual Xref
Database
2850
DrugCentral
View more database links
Registry Number
Type
Source
38971-12-9
CAS Registry Number
DrugCentral
Last Modified
23 February 2017