Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0CR4U)
DIG Name
Aminobenzoic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
4-aminobenzoic acid; 150-13-0; p-aminobenzoic acid; PABA; para-aminobenzoic acid; AMINOBENZOIC ACID; Vitamin BX; p-Carboxyaniline; 4-Carboxyaniline; Sunbrella; Benzoic acid, 4-amino-; p-Carboxyphenylamine; Hachemina; Paraminol; 1-Amino-4-carboxybenzene; Pabacyd; Pabafilm; Pabamine; Paranate; Amben; Potaba; Romavit; Bacterial vitamin H1; Vitamin H'; Anticanitic vitamin; Chromotrichia factor; RVPaba Lipstick; Papacidum; Rvpaba; Trichochromogenic factor; Anti-chromotrichia factor; Super Shade by Coppertone; Benzoic acid, p-amino-; Acidum paraminobenzoicum; ABEE; Pabagel; Pabanol; 4-AMINO-BENZOIC ACID; Caswell No. 033B; Kyselina p-aminobenzoova; MFCD00007894; Vitamin H1; p-Aminobenzoesaeure; 4-Aminobenzoesaeure; 4-aminobenzoic-acid; 4-Carboxyphenylamine; Acido p-aminobenzoico; PAB; gamma-Aminobenzoic acid; benzoic acid, 4-amino; Acido p-aminobenzoico [Italian]; UNII-TL2TJE8QTX; Kyselina p-aminobenzoova [Czech]; para-aminobenzoate; Anticantic vitamin; EPA Pesticide Chemical Code 233300; BRN 0471605; p-amino benzoic acid; p-amino-Benzoic acid; CHEBI:30753; AI3-02436; TL2TJE8QTX; Aminobenzoic acid (USP); Aminobenzoic acid [USP]; .gamma.-Aminobenzoic acid; Aniline-4-carboxylic acid; CHEMBL542; 4-Aminobenzoic acid, 99%; H-4-ABZ-OH; AMINOBENZOIC ACID, PARA; NCGC00091051-01; 4-aminobenzoicacid; DSSTox_CID_4466; DSSTox_RID_77411; DSSTox_GSID_24466; CAS-150-13-0; SMR000471833; CCRIS 6209; HSDB 6840; NSC 7627; EINECS 205-753-0; Actipol; p-carboxy aniline; p-aminobezoic acid; gamma-Aminobenzoate; 4-aminobezoic acid; Trochromogenic factor; Aniline-4-carboxylate; 161406-19-5; 4-Amino benzoic acid; 4-(amino)benzoic acid; Antichromotrichia factor; PubChem13422; Spectrum_000036; RVPaba lipstick (TN); P-AMINO-BENZOATE; Aminobenzoic Acid, USP; Spectrum2_000123; Spectrum3_000294; Spectrum4_000142; Spectrum5_000778; Tetracaine EP Impurity A; P-Aminobenzoic Acid,(S); ACMC-209d3t; bmse000066; bmse000887; bmse000916; Epitope ID:115017; H-(4)Abz-OH; AMINOBENZOIC-4 ACID; EC 205-753-0; SCHEMBL8249; Oprea1_221096; BSPBio_001828; KBioGR_000584; KBioSS_000396; ZINC920; MLS001066325; MLS001335919; MLS001335920; Para Amino Benzoic Acid USP; BIDD:ER0375; DivK1c_000783; SPBio_000166; PARA AMINO BENZOIC ACID; 4-Aminobenzoic acid-[13C6]; RARECHEM AL BO 0238; component of Presun (Salt/Mix); DTXSID6024466; SCHEMBL13232108; KBio1_000783; KBio2_000396; KBio2_002964; KBio2_005532; KBio3_001328; NSC7627; NINDS_000783; OTAVA-BB 1509951; P-AMINOBENZOIC ACID 100G; 150-13-0 4-aminobenzoic acid; HMS2269E10; HMS3870E13; LABOTEST-BB LTBB000459; WT266; ACT09225; HY-B1008; NSC-7627; Tox21_111069; Tox21_201702; Tox21_300087; ANW-21255; BDBM50145829; LABOTEST-BB LT03328355; s4510; SBB058665; STK397441; AKOS000118983; Tox21_111069_1; AC-8107; AM86626; AS00762; CCG-266139; CS-4505; DB02362; MCULE-3535374816; IDI1_000783; 4-Aminobenzoic acid, analytical standard; NCGC00091051-02; NCGC00091051-03; NCGC00091051-04; NCGC00253923-01; NCGC00259251-01; AK-41178; AS-12493; NCI60_041683; SY003749; SBI-0051277.P003; DB-028695; 4-Aminobenzoic acid, ReagentPlus(R), 99%; A0269; FT-0617557; ST50632536; 4-Aminobenzoic acid, >=98.0% (HPLC/NT); 3297-EP2308861A1; 3297-EP2308868A1; 3297-EP2311809A1; 4-Aminobenzoic acid, ReagentPlus(R), >=99%; 6761-EP1441224A2; 6761-EP2295402A2; C00568; D02456; Q-9193; 48316-EP2281563A1; 48316-EP2308874A1; 48316-EP2311494A1; Q284959; 4-Aminobenzoic acid, Vetec(TM) reagent grade, 98%; Q-200432; 4-Aminobenzoic acid, purified by sublimation, >=99%; Z57127446; 4-Aminobenzoic acid, 98.5-100.2%, SAJ first grade; 4-Aminobenzoic acid, SAJ special grade, 99.5-100.2%; F2191-0259; 4A5E7DD8-8A22-4642-86BF-05B778C0C78E; 4-Aminobenzoic acid, European Pharmacopoeia (EP) Reference Standard; Aminobenzoic acid, United States Pharmacopeia (USP) Reference Standard; Aminobenzoic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Antioxidant
PubChem CID
978
Formula
C7H7NO2
Canonical SMILES
C1=CC(=CC=C1C(=O)O)N
InChI
1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
ALYNCZNDIQEVRV-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=978"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 137.14 Topological Polar Surface Area 63.3
XlogP 0.8 Complexity 128
Heavy Atom Count 10 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Guaifenesin
 API Info
Asthma [ICD-11: CA23]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Acetylcholinesterase (ACHE) 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 IC50 = 35.2 nM (tested by experiment) [2]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID ACES_RAT
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Cytochrome P450 1B1 (CYP1B1) 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 IC50 > 120000 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP1B1_HUMAN
References
1 FDA label for approved guaifenesin from the official website of the U.S. Food and Drug Administration.
2 Synthesis and evaluation of novel 4-[(3H,3aH,6aH)-3-phenyl)-4,6-dioxo-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazol-5(3H,6H,6aH)-yl]benzoic acid derivatives as potent acetylcholinesterase inhibitors and anti-amnestic agents. Bioorg Med Chem. 2012 Jan 1; 20(1):521-30.
3 Aryl morpholino triazenes inhibit cytochrome P450 1A1 and 1B1. Bioorg Med Chem Lett. 2016 Jul 15; 26(14):3243-3247.

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