Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0Y7PW)
DIG Name	Sodium benzoate
Synonyms	Click to Show/Hide the Synonyms of This DIG sodium benzoate; 532-32-1; Benzoic acid, sodium salt; Benzoic acid sodium salt; Sobenate; Antimol; Benzoate sodium; Benzoate of soda; sodium;benzoate; FEMA No. 3025; UNII-OJ245FE5EU; MFCD00012463; OJ245FE5EU; E211; Benzoic acid, sodium salt (1:1); Benzoate, sodium; Sodiumbenzoate; Natrium benzoicum; Caswell No. 746; Benzoan sodny [Czech]; Benzoan sodny; FEMA Number 3025; Sodium benzoate, 99+%, extra pure; Sodium benzoate, 99%, for biochemistry; CCRIS 3921; HSDB 696; Benzoesaeure (na-salz) [German]; Benzoesaeure (na-salz); Sodium benzoate solution; EINECS 208-534-8; C7H5NaO2; EPA Pesticide Chemical Code 009103; AI3-07835; BzONa; Sodium benzoate [USAN:JAN:NF]; benzoic acid sodium; Sodium Benzoate USP; NATRII BENZOAS; Sodium Benzoate,(S); Sodium benzoate (TN); SODIUM BENZONATE; PUROX S; BENZOTRON(R); DSSTox_CID_140; SCHEMBL823; ACMC-209l4v; EC 208-534-8; CHEMBL1356; DSSTox_RID_75393; DSSTox_GSID_20140; Sodium benzoate (JP17/NF); INS NO.211; DTXSID1020140; FEMA 3025; INS-211; CHEBI:113455; LABOTEST-BB LTBB002151; Sodium Benzoate (Fragrance Grade); RONACARE(R) SODIUM BENZOATE; Tox21_300125; ANW-31661; LABOTEST-BB LT03328366; AKOS003053000; AKOS015890021; AS01250; CCG-266169; NCGC00254072-01; AK308412; CAS-532-32-1; E-211; FT-0645126; S0593; S0855; 3860-EP2270007A1; 3860-EP2270101A1; 3860-EP2275105A1; 3860-EP2275412A1; 3860-EP2280009A1; 3860-EP2287154A1; 3860-EP2287160A1; 3860-EP2289893A1; 3860-EP2292611A1; 3860-EP2295424A1; 3860-EP2295426A1; 3860-EP2295427A1; 3860-EP2298735A1; 3860-EP2298744A2; 3860-EP2301924A1; 3860-EP2301937A1; 3860-EP2305673A1; 3860-EP2305680A2; 3860-EP2308877A1; 3860-EP2311809A1; 3860-EP2311821A1; 3860-EP2311825A1; 3860-EP2311834A1; 3860-EP2311842A2; 3860-EP2314575A1; 3860-EP2314583A1; 3860-EP2314584A1; D02277; A829462; Q423971; J-519752
DIG Function	Antimicrobial preservative; lubricant
PubChem CID	517055
Formula	C7H5NaO2
Canonical SMILES	C1=CC=C(C=C1)C(=O)[O-].[Na+]
InChI	1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey	WXMKPNITSTVMEF-UHFFFAOYSA-M
	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=517055"></iframe>
Structure	3D MOL is not available		2D MOL
Physicochemical Properties	Molecular Weight	144.1	Topological Polar Surface Area	40.1
	XlogP	N.A.	Complexity	108
	Heavy Atom Count	10	Rotatable Bond Count	1
	Hydrogen Bond Donor Count	0	Hydrogen Bond Acceptor Count	2

Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
ICD Disease Classification 01		Infectious/parasitic disease	Click to Show/Hide
Fluconazole	API Info	Candidiasis [ICD-11: 1F23]		[1]
Sulfadiazine	API Info	Toxoplasmosis [ICD-11: 1F57]		[2]
ICD Disease Classification 02		Benign/in-situ/malignant neoplasm	Click to Show/Hide
Prednisolone	API Info	Multiple myeloma [ICD-11: 2A83]		[3]
ICD Disease Classification 05		Endocrine/nutritional/metabolic disease	Click to Show/Hide
Fenofibrate	API Info	Hypertriglyceridaemia [ICD-11: 5C80]		[4]
Propylthiouracil	API Info	Thyrotoxicosis [ICD-11: 5A02]		[5]
ICD Disease Classification 06		Mental/behavioural/neurodevelopmental disorder	Click to Show/Hide
Risperidone	API Info	Schizophrenia [ICD-11: 6A20]		[6]
Alprazolam	API Info	Anxiety disorder [ICD-11: 6B00]		[7]
Desipramine	API Info	Attention deficit hyperactivity disorder [ICD-11: 6A05]		[8]
Chlorpromazine	API Info	Schizophrenia [ICD-11: 6A20]		[9]
Carisoprodol	API Info	Major depressive disorder [ICD-11: 6A70]		[10]
Perphenazine	API Info	Schizophrenia [ICD-11: 6A20]		[11]
ICD Disease Classification 07		Sleep-wake disorder	Click to Show/Hide
Estazolam	API Info	Insomnia [ICD-11: 7A00]		[12]
Triazolam	API Info	Insomnia [ICD-11: 7A00]		[13]
ICD Disease Classification 08		Nervous system disease	Click to Show/Hide
Acetaminophen	API Info	Anaesthesia [ICD-11: 8E22]		[14]
Primidone	API Info	Epilepsy [ICD-11: 8A60]		[15]
Chlorzoxazone	API Info	Anaesthesia [ICD-11: 8E22]		[16]
Methylergonovine	API Info	Migraine [ICD-11: 8A80]		[17]
ICD Disease Classification 09		Visual system disease	Click to Show/Hide
Dextromethorphan	API Info	Allergic conjunctivitis [ICD-11: 9A60]		[18]
ICD Disease Classification 10		Ear/mastoid process disease	Click to Show/Hide
Diphenhydramine	API Info	Meniere disease [ICD-11: AB31]		[19]
ICD Disease Classification 11		Circulatory system disease	Click to Show/Hide
Spironolactone	API Info	Congestive heart failure [ICD-11: BD10]		[20]
Labetalol	API Info	Essential hypertension [ICD-11: BA00]		[21]
Dipyridamole	API Info	Atherosclerosis [ICD-11: BA80]		[22]
Minoxidil	API Info	Essential hypertension [ICD-11: BA00]		[23]
ICD Disease Classification 12		Respiratory system disease	Click to Show/Hide
Chlorpheniramine	API Info	Allergic rhinitis [ICD-11: CA08]		[24]
Ceftibuten	API Info	Bronchitis [ICD-11: CA20]		[25]
ICD Disease Classification 13		Digestive system disease	Click to Show/Hide
Doxycycline	API Info	Periodontal disease [ICD-11: DA0C]		[26]
Bisacodyl	API Info	Irritable bowel syndrome [ICD-11: DD91]		[27]
Famotidine	API Info	Peptic ulcer [ICD-11: DA61]		[28]
ICD Disease Classification 14		Skin disease	Click to Show/Hide
Hydrochlorothiazide	API Info	Luid retention [ICD-11: EF02]		[29]
ICD Disease Classification 15		Musculoskeletal/connective-tissue disease	Click to Show/Hide
Prednisone	API Info	Rheumatoid arthritis [ICD-11: FA20]		[30]
Rifampicin	API Info	Osteoporosis [ICD-11: FB83]		[31]
Tofacitinib	API Info	Rheumatoid arthritis [ICD-11: FA20]		[32]
ICD Disease Classification 16		Genitourinary system disease	Click to Show/Hide
Ibuprofen	API Info	Dysmenorrhea [ICD-11: GA34]		[33]
Mefenamic acid	API Info	Dysmenorrhea [ICD-11: GA34]		[34]

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 = 30000 nM (tested by experiment)		[35]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH2_HUMAN
DBT Name: Carbonic anhydrase IV (CA4)		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 = 74700 nM (tested by experiment)		[35]
Tested Species	Homo sapiens (Human)
UniProt ID	CAH4_HUMAN

References
1	FDA label for approved fluconazole from the official website of the U.S. Food and Drug Administration.
2	FDA label for approved sulfadiazine from the official website of the U.S. Food and Drug Administration.
3	FDA label for approved prednisolone from the official website of the U.S. Food and Drug Administration.
4	FDA label for approved fenofibrate from the official website of the U.S. Food and Drug Administration.
5	FDA label for approved propylthiouracil from the official website of the U.S. Food and Drug Administration.
6	FDA label for approved risperidone from the official website of the U.S. Food and Drug Administration.
7	FDA label for approved alprazolam from the official website of the U.S. Food and Drug Administration.
8	FDA label for approved desipramine from the official website of the U.S. Food and Drug Administration.
9	FDA label for approved chlorpromazine from the official website of the U.S. Food and Drug Administration.
10	FDA label for approved carisoprodol from the official website of the U.S. Food and Drug Administration.
11	FDA label for approved perphenazine from the official website of the U.S. Food and Drug Administration.
12	FDA label for approved estazolam from the official website of the U.S. Food and Drug Administration.
13	FDA label for approved triazolam from the official website of the U.S. Food and Drug Administration.
14	FDA label for approved acetaminophen from the official website of the U.S. Food and Drug Administration.
15	FDA label for approved primidone from the official website of the U.S. Food and Drug Administration.
16	FDA label for approved chlorzoxazone from the official website of the U.S. Food and Drug Administration.
17	FDA label for approved methylergonovine from the official website of the U.S. Food and Drug Administration.
18	FDA label for approved dextromethorphan from the official website of the U.S. Food and Drug Administration.
19	FDA label for approved diphenhydramine from the official website of the U.S. Food and Drug Administration.
20	FDA label for approved spironolactone from the official website of the U.S. Food and Drug Administration.
21	FDA label for approved labetalol from the official website of the U.S. Food and Drug Administration.
22	FDA label for approved dipyridamole from the official website of the U.S. Food and Drug Administration.
23	FDA label for approved minoxidil from the official website of the U.S. Food and Drug Administration.
24	FDA label for approved chlorpheniramine from the official website of the U.S. Food and Drug Administration.
25	FDA label for approved ceftibuten from the official website of the U.S. Food and Drug Administration.
26	FDA label for approved doxycycline from the official website of the U.S. Food and Drug Administration.
27	FDA label for approved bisacodyl from the official website of the U.S. Food and Drug Administration.
28	FDA label for approved famotidine from the official website of the U.S. Food and Drug Administration.
29	FDA label for approved hydrochlorothiazide from the official website of the U.S. Food and Drug Administration.
30	FDA label for approved prednisone from the official website of the U.S. Food and Drug Administration.
31	FDA label for approved rifampicin from the official website of the U.S. Food and Drug Administration.
32	FDA label for approved tofacitinib from the official website of the U.S. Food and Drug Administration.
33	FDA label for approved ibuprofen from the official website of the U.S. Food and Drug Administration.
34	FDA label for approved mefenamic acid from the official website of the U.S. Food and Drug Administration.
35	Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1; 15(3):573-8.

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