Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E03JHL)
DIG Name
Adipic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
adipic acid; hexanedioic acid; 124-04-9; Adipinic acid; 1,4-Butanedicarboxylic acid; Adilactetten; Acifloctin; Acinetten; 1,6-Hexanedioic acid; Molten adipic acid; Kyselina adipova; Adipinsaure [German]; Acide adipique [French]; Kyselina adipova [Czech]; Hexanedioate; Adipinsaeure; Adi-pure; UNII-76A0JE0FKJ; NSC 7622; MFCD00004420; Adipic acid [NF]; Adipic acid, 99%; Hexan-1,6-dicarboxylate; 76A0JE0FKJ; butane-1,4-dicarboxylic acid; 1,6-HEXANE-DIOIC ACID; CHEBI:30832; NSC7622; Adipic acid (NF); NCGC00091345-01; E355; hexane-1,6-dioic acid; DSSTox_CID_1605; DSSTox_RID_76232; DSSTox_GSID_21605; Adipinsaure; Acide adipique; FEMA Number 2011; CAS-124-04-9; CCRIS 812; FEMA No. 2011; HSDB 188; EINECS 204-673-3; BRN 1209788; Adipinate; adipic-acid; Molten adipate; AI3-03700; adipic acid group; hexane dioic acid; 1,6-Hexanedioate; 0L1; Neopentyl Glycol Flake; ADIPIC-DB ACID; ACMC-1BBQS; Adipic acid-[13C6]; C6-140-polymorph-I; C6-180-polymorph-I; C6-220-polymorph-I; C6-260-polymorph-I; C6-298-polymorph-I; 1, 6-Hexanedioic Acid; Adipic acid, >=99%; WLN: QV4VQ; bmse000424; EC 204-673-3; SCHEMBL4930; Adipic acid-1,6-13C2; CHEMBL1157; NCIOpen2_001004; NCIOpen2_001222; HOOC-(CH2)4-COOH; Adipic acid, >=99.5%; 4-02-00-01956 (Beilstein Handbook Reference); BIDD:ER0342; INS No. 355; Hexanedioic-d8 acid-d2(9CI); DTXSID7021605; Adipic acid, puriss., 99.8%; Pharmakon1600-01301012; NSC-7622; ZINC1530348; Tox21_111118; Tox21_202161; Tox21_300344; ANW-18185; BBL011615; LMFA01170048; NSC760121; SBB040846; STL163338; AKOS000119031; Tox21_111118_1; CCG-230896; CS-W018238; HY-W017522; MCULE-1336748609; NE10314; NSC-760121; Hexanedioic-2,2,5,5-d4acid (9CI); NCGC00091345-02; NCGC00091345-03; NCGC00091345-04; NCGC00091345-05; NCGC00254389-01; NCGC00259710-01; AC-10343; BP-21150; BP-30248; Hexanedioic Acid, Butanedicarboxylic Acid; 101-EP2269610A2; 101-EP2269988A2; 101-EP2270002A1; 101-EP2270008A1; 101-EP2270113A1; 101-EP2272935A1; 101-EP2275413A1; 101-EP2275417A2; 101-EP2277507A1; 101-EP2277848A1; 101-EP2281559A1; 101-EP2284146A2; 101-EP2284147A2; 101-EP2284162A2; 101-EP2284163A2; 101-EP2284165A1; 101-EP2286795A1; 101-EP2287156A1; 101-EP2289510A1; 101-EP2289883A1; 101-EP2292597A1; 101-EP2292611A1; 101-EP2292617A1; 101-EP2295438A1; 101-EP2298313A1; 101-EP2301924A1; 101-EP2301940A1; 101-EP2305673A1; 101-EP2308510A1; 101-EP2308562A2; 101-EP2308865A1; 101-EP2308877A1; 101-EP2311801A1; 101-EP2311802A1; 101-EP2311803A1; 101-EP2311807A1; 101-EP2311809A1; 101-EP2311834A1; 101-EP2314295A1; 101-EP2314575A1; 101-EP2316457A1; 101-EP2316458A1; 101-EP2316825A1; 101-EP2316826A1; 101-EP2316827A1; 101-EP2316828A1; 101-EP2371814A1; 101-EP2374780A1; 101-EP2374781A1; 101-EP2374895A1; A0161; Adipic acid, BioXtra, >=99.5% (HPLC); Adipic acid, SAJ special grade, >=99.5%; E 355; E-355; FT-0606810; ST50214430; Adipic acid, Vetec(TM) reagent grade, >=99%; C06104; D08839; AB00988898-01; AB00988898-03; Q357415; SR-01000944270; J-005034; J-519542; SR-01000944270-2; Z57127533; Adipic acid, certified reference material, TraceCERT(R); F0001-0377; Adipic acid, European Pharmacopoeia (EP) Reference Standard; 1F1316F2-7A32-4339-8C2A-8CAA84696C95; Adipic acid, United States Pharmacopeia (USP) Reference Standard; Adipic acid, meets analytical specification of Ph.Eur., BP, E 355, 99.6-101.0% (calc. to the dried substance)
DIG Function
Acidulant; Buffering agent; Flavoring agent; Modified-release agent
PubChem CID
196
Formula
C6H10O4
Canonical SMILES
C(CCC(=O)O)CC(=O)O
InChI
1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey
WNLRTRBMVRJNCN-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=196"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 146.14 Topological Polar Surface Area 74.6
XlogP 0.1 Complexity 114
Heavy Atom Count 10 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Simethicone
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [1]
Bismuth subsalicylate
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [2]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Potential-driven transporter (PDT)
            DBT Name: Organic anion transporter 1 (OAT1) 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 = 407.38 nM (tested by experiment) [3]
                    Tested Species Mus musculus (Mouse)
                    UniProt ID S22A6_MOUSE
References
1 FDA label for approved simethicone from the official website of the U.S. Food and Drug Administration.
2 Bismuth Subsalicylate.
3 Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members. J Biol Chem. 2007 Aug 17; 282(33):23841-53.

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