Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0TU6R)
DIG Name	Acesulfame
Synonyms	Click to Show/Hide the Synonyms of This DIG ACESULFAME; 33665-90-6; Acetosulfam; Acesulfamum; Acesulfamo; 6-methyl-2,2-dioxooxathiazin-4-one; 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide; UNII-MA3UYZ6K1H; 6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide; CHEBI:83501; Acesulfame potassium; MA3UYZ6K1H; 6-Methyl-1,2,3-oxathiazin-4(3H)-on 2,2-dioxid; 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide; 3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one 2,2-dioxide; 3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one-2,2-dioxide; Acesulfame-potassium; acetosulfame; Acesulfame [BAN:INN]; Acesulfame [INN:BAN]; Acesulfamum [INN-Latin]; Acesulfamo [INN-Spanish]; HSDB 3914; AUD; Acesulfame Form II; EINECS 251-622-6; SCHEMBL3551; CHEMBL176687; DTXSID0048006; SCHEMBL12166504; 6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione; 6-methyl-3,4-dihydro-1,2lambda6,3-oxathiazine-2,2,4-trione; ZINC2009976; BBL036697; BDBM50367132; STL559076; AKOS006273139; VS-13634; FT-0652563; Q2823822; 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, 9CI; 6-methyl-3,4-dihydro-1,2??,3-oxathiazine-2,2,4-trione; [4(3H)-Oxo-6-methyl-1,2,3-oxathiazine 2,2-dioxide]-3-ide; 6-methyl-3,4-dihydro-1,2$l^{6},3-oxathiazine-2,2,4-trione; 6-methyl-3,4-dihydro-1,2,3-oxa-thiazin-4-one 2,2-dioxide
DIG Function	Flavoring agent
PubChem CID	36573
Formula	C4H5NO4S
Canonical SMILES	CC1=CC(=O)NS(=O)(=O)O1
InChI	1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
InChIKey	YGCFIWIQZPHFLU-UHFFFAOYSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=36573"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	163.15	Topological Polar Surface Area	80.8
	XlogP	-0.3	Complexity	283
	Heavy Atom Count	10	Rotatable Bond Count	0
	Hydrogen Bond Donor Count	1	Hydrogen Bond Acceptor Count	4

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 04		Immune system disease	Click to Show/Hide
Cetirizine	API Info	Allergy [ICD-11: 4A80]		[1]
ICD Disease Classification 06		Mental/behavioural/neurodevelopmental disorder	Click to Show/Hide
Risperidone	API Info	Schizophrenia [ICD-11: 6A20]		[2]
Lamotrigine	API Info	Bipolar disorder [ICD-11: 6A60]		[3]
Aripiprazole	API Info	Schizophrenia [ICD-11: 6A20]		[4]
Buprenorphine	API Info	Opiate dependence [ICD-11: 6C43]		[5]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Acetaminophen	API Info	Anaesthesia [ICD-11: 8E22]		[6]
Rizatriptan	API Info	Migraine [ICD-11: 8A80]		[7]
Zolmitriptan	API Info	Migraine [ICD-11: 8A80]		[8]
ICD Disease Classification 11		Circulatory system disease	Click to Show/Hide
Bosentan	API Info	Pulmonary hypertension [ICD-11: BB01]		[9]
ICD Disease Classification 13		Digestive system disease	Click to Show/Hide
Meclizine	API Info	Functional nausea/vomiting [ICD-11: DD90]		[10]
Loperamide	API Info	Irritable bowel syndrome [ICD-11: DD91]		[11]
Metoclopramide	API Info	Gastro-oesophageal reflux disease [ICD-11: DA22]		[12]
ICD Disease Classification 15		Musculoskeletal/connective-tissue disease	Click to Show/Hide
Alendronic acid	API Info	Osteoporosis [ICD-11: FB83]		[13]
ICD Disease Classification 16		Genitourinary system disease	Click to Show/Hide
Ibuprofen	API Info	Dysmenorrhea [ICD-11: GA34]		[14]

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Lyase/isomerase/ligase (L/I/G)
DBT Name: Carbonic anhydrase II (CA2)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	Ki > 20000 nM (tested by experiment)		[15]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
DBT Name: Carbonic anhydrase IX (CA9)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	Ki = 2400 nM (tested by experiment)		[15]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH9_HUMAN

References
1	FDA label for approved cetirizine from the official website of the U.S. Food and Drug Administration.
2	FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
3	FDA label for approved lamotrigine from the official website of the U.S. Food and Drug Administration.
4	FDA label for approved aripiprazole from the official website of the U.S. Food and Drug Administration.
5	FDA label for approved buprenorphine from the official website of the U.S. Food and Drug Administration.
6	FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
7	FDA label for approved rizatriptan from the official website of the U.S. Food and Drug Administration.
8	FDA label for approved zolmitriptan from the official website of the U.S. Food and Drug Administration.
9	FDA label for approved bosentan from the official website of the U.S. Food and Drug Administration.
10	FDA label for approved meclizine from the official website of the U.S. Food and Drug Administration.
11	FDA label for approved loperamide from the official website of the U.S. Food and Drug Administration.
12	FDA label for approved metoclopramide from the official website of the U.S. Food and Drug Administration.
13	FDA label for approved alendronic acid from the official website of the U.S. Food and Drug Administration.
14	FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
15	Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett. 2018 May 10; 9(7):657-661.

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