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flavoxate hydrochloride
(Q27106648)
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From Wikidata
chemical compound
2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride
flavoxate HCl
2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
flavoxate hydrochloride
chemical compound
2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride
flavoxate HCl
2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
427.155±0
dalton
1 reference
stated in
PubChem
PubChem CID
441345
language of work or name
English
title
Flavoxate hydrochloride
(English)
retrieved
17 November 2016
chemical formula
C₂₄H₂₆ClNO₄
1 reference
stated in
PubChem
PubChem CID
441345
language of work or name
English
title
Flavoxate hydrochloride
(English)
retrieved
17 November 2016
canonical SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl
1 reference
stated in
PubChem
PubChem CID
441345
language of work or name
English
title
Flavoxate hydrochloride
(English)
retrieved
17 November 2016
physically interacts with
Phosphodiesterase 4A
subject has role
reaction inhibitor
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200875
Phosphodiesterase 8A
subject has role
reaction inhibitor
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200875
Phosphodiesterase 8B
subject has role
reaction inhibitor
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200875
Phosphodiesterase 7B
subject has role
reaction inhibitor
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200875
Phosphodiesterase 4C
subject has role
reaction inhibitor
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200875
Identifiers
InChI
InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H
1 reference
stated in
PubChem
PubChem CID
441345
language of work or name
English
title
Flavoxate hydrochloride
(English)
retrieved
17 November 2016
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
441345
language of work or name
English
title
Flavoxate hydrochloride
(English)
retrieved
17 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
3717-88-2
2 references
stated in
Global Substance Registration System
UNII
9C05J6089W
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
17 November 2016
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3717-88-2
ChemSpider ID
390100
1 reference
stated in
ChemSpider
ChemSpider ID
390100
language of work or name
English
title
Spasuret hydrochloride
(English)
retrieved
17 November 2016
PubChem CID
441345
2 references
stated in
PubChem
PubChem CID
441345
language of work or name
English
title
Flavoxate hydrochloride
(English)
retrieved
17 November 2016
matched by identifier from
InChIKey
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
49791942
1 reference
matched by identifier from
InChIKey
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
45489758
1 reference
matched by identifier from
InChIKey
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
Reaxys registry number
6258688
1 reference
stated in
ChEBI
ChEBI ID
5089
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
5 October 2016
ChEBI ID
5089
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL1200875
language of work or name
English
title
FLAVOXATE HYDROCHLORIDE
(English)
retrieved
17 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H
ChEMBL ID
CHEMBL1200875
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL1200875
language of work or name
English
title
FLAVOXATE HYDROCHLORIDE
(English)
retrieved
17 November 2016
SureChEMBL ID
SCHEMBL124540
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
DSSTox substance ID
DTXSID1047784
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1027764
0 references
NSC number
114649
0 references
EC number
223-066-4
1 reference
stated in
Global Substance Registration System
UNII
9C05J6089W
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
17 November 2016
ECHA Substance Infocard ID
100.020.970
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.020.970
retrieved
27 December 2018
title
Flavoxate hydrochloride
(English)
quotation
CAS no.: 3717-88-2
(English)
RxNorm ID
142437
1 reference
stated in
Global Substance Registration System
UNII
9C05J6089W
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
17 November 2016
DrugBank ID
DBSALT000407
0 references
UNII
9C05J6089W
2 references
stated in
Global Substance Registration System
UNII
9C05J6089W
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
17 November 2016
matched by identifier from
InChIKey
InChIKey
XOEVKNFZUQEERE-UHFFFAOYSA-N
NDF-RT ID
N0000146362
1 reference
stated in
Global Substance Registration System
UNII
9C05J6089W
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
17 November 2016
Probes And Drugs ID
PD000684
0 references
KEGG ID
D00718
1 reference
stated in
ChEBI
ChEBI ID
5089
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
5 October 2016
UMLS CUI
C0546865
1 reference
stated in
Global Substance Registration System
UNII
9C05J6089W
language of work or name
English
title
flavoxate hydrochloride
(English)
retrieved
17 November 2016
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