Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0Y4VO)
DIG Name
Dibutyl phthalate
Synonyms    Click to Show/Hide the Synonyms of This DIG
dibutyl phthalate; 84-74-2; Di-n-butyl phthalate; n-Butyl phthalate; Butyl phthalate; Celluflex DPB; Elaol; Genoplast B; Palatinol C; Polycizer DBP; Unimoll DB; Dibutyl-o-phthalate; Staflex DBP; DIBUTYLPHTHALATE; Hexaplas M/B; Phthalic acid dibutyl ester; Witcizer 300; Dibutyl 1,2-benzenedicarboxylate; Ergoplast FDB; dibutyl benzene-1,2-dicarboxylate; Kodaflex DBP; DBP (ester); 1,2-Benzenedicarboxylic acid, dibutyl ester; N-Butylphthalate; dibutyl-phthalate; Ersoplast FDA; Phthalate, di-n-butyl; Uniflex DBP; Hatcol DBP; Dibutyl o-phthalate; RC Plasticizer DBP; Benzene-o-dicarboxylic acid di-n-butyl ester; Phthalic acid, dibutyl ester; o-Benzenedicarboxylic acid, dibutyl ester; RCRA waste number U069; PX 104; ortho-Dibutyl phthalate; Phthalic acid di-n-butyl ester; Di-n-butylorthophthalate; Dibutyl-1,2-benzenedicarboxylate; Dibutylphthatlate; Palatinol DBP; Dibutyl phthalated; NSC 6370; di-n-butyl phthalate (DBuP); UNII-2286E5R2KE; 1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester; Morflex 240; Uniplex 150; Di-n-butylester kyseliny ftalove; CHEBI:34687; MFCD00009441; o-Benzenedicarboxylic acid dibutyl ester; 1,2-Benzenedicarboxylic acid dibutyl ester; CHEMBL272485; DTXSID2021781; Benzene-o-dicarboxylic acid, di-n-butyl ester; 2286E5R2KE; Benzenedicarboxylic acid dibutyl ester; 1,2-dibutyl benzene-1,2-dicarboxylate; DSSTox_CID_1781; Dibutyl ester of 1,2-benzenedicarboxylic acid; DSSTox_RID_76324; DSSTox_GSID_21781; Phthalate, dibutyl-; butyl 2-(butoxycarbonyl)benzoate; Caswell No. 292; nutyl phthalate; dibutyl phthalate (DBP); Phthalate, Butyl; CAS-84-74-2; Phthalate, Dibutyl; CCRIS 2676; HSDB 922; Di n Butyl Phthalate; RAPIDCELLtrade markP; Dibutyl phthalate [NF]; SR-05000001549; EINECS 201-557-4; RCRA waste no. U069; EPA Pesticide Chemical Code 028001; BRN 1914064; Di-n-butylester kyseliny ftalove [Czech]; Bufa; AI-3-00283; Dibutyll phthalate; Benzenedicarboxylic acid, dibutyl ester; Spectrum_001975; Di(1-butyl) phthalate; SpecPlus_000628; Dibutyl phthalate-[d4]; Dibutyl phthalate, 99%; Spectrum3_000874; Spectrum4_000714; Spectrum5_002068; ACMC-209pw7; Epitope ID:138714; EC 201-557-4; WLN: 4OVR BVO2; Dibutyl phthalate, >=99%; SCHEMBL24051; BSPBio_002547; KBioGR_001267; KBioSS_002541; SPECTRUM330086; MLS002177802; BIDD:ER0641; DivK1c_006724; Phthalic acid, bis-butyl ester; GTPL6295; KBio1_001668; KBio2_002532; KBio2_005100; KBio2_007668; KBio3_002047; NSC6370; Dibutyl phthalate, AR, >=99%; Dibutyl phthalate, LR, >=98%; Dibutyl 1, 2-benzenedicarboxylate; HMS2091E09; HMS3041E18; Pharmakon1600-00330086; BCP24796; HY-Y0304; NSC-6370; ZINC1693431; Dibutyl phthalate, Selectophore(TM); Tox21_201729; Tox21_300980; ANW-37829; BBL011532; BDBM50371946; NSC755894; SBB060337; STL146650; AKOS005720807; CCG-230933; DB13716; MCULE-8727957434; NSC-755894; NCGC00090769-01; NCGC00090769-02; NCGC00090769-03; NCGC00090769-04; NCGC00090769-05; NCGC00090769-06; NCGC00090769-07; NCGC00090769-08; NCGC00090769-09; NCGC00254882-01; NCGC00259278-01; SMR000777923; SBI-0052568.P002; CS-0013564; Dibutyl phthalate, ReagentPlus(R), >=99%; FT-0624680; P0292; S5377; ST50406580; Benzene-1,2-dicarboxylic acid di-n-butylester; C14214; Dibutyl phthalate, SAJ special grade, >=98.0%; Q415612; J-503795; SR-05000001549-1; SR-05000001549-3; Araldite(R) resins(modified epoxy resins),grade 502; BRD-K73477617-001-01-0; BRD-K73477617-001-04-4; Dibutyl phthalate, PESTANAL(R), analytical standard; F0001-2134; Z277540112; Dibutyl phthalate, certified reference material, TraceCERT(R); Dibutyl phthalate, European Pharmacopoeia (EP) Reference Standard; Dibutyl phthalate, United States Pharmacopeia (USP) Reference Standard; Dibutyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Plasticizing agent; Solvent
PubChem CID
3026
Formula
C16H22O4
Canonical SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChI
1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey
DOIRQSBPFJWKBE-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=3026"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 278.34 Topological Polar Surface Area 52.6
XlogP 4.7 Complexity 271
Heavy Atom Count 20 Rotatable Bond Count 10
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Diltiazem
 API Info
Essential hypertension [ICD-11: BA00]
 [1]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Bisacodyl
 API Info
Irritable bowel syndrome [ICD-11: DD91]
 [2]
Mesalamine
 API Info
Inflammatory bowel disease [ICD-11: DD72]
 [3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Cathepsin B (CTSB) 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 = 230000 nM (tested by experiment) [4]
                    Tested Species Mus musculus (Mouse)
                    UniProt ID CATB_MOUSE
References
1 FDA label for approved diltiazem from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved bisacodyl from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved mesalamine from the official website of the U.S. Food and Drug Administration.
4 Cathepsin B inhibitory activities of phthalates isolated from a marine Pseudomonas strain. Bioorg Med Chem Lett. 2008 Mar 15; 18(6):2083-8.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.