Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0I4EJ)
DIG Name
Riboflavin
Synonyms    Click to Show/Hide the Synonyms of This DIG
riboflavin; vitamin B2; Riboflavine; Lactoflavin; 83-88-5; Vitamin G; Lactoflavine; Flavaxin; (-)-riboflavin; Beflavin; Riboflavina; Riboflavinum; Beflavine; Russupteridine Yellow III; 7,8-Dimethyl-10-ribitylisoalloxazine; 6,7-Dimethyl-9-D-ribitylisoalloxazine; Ribocrisina; Vitaflavine; Flaxain; Lactobene; Ribipca; Riboderm; Ribosyn; Ribotone; Ribovel; E101; Vitamin Bi; Flavin BB; Vitasan B2; HYRE; Riboflavin (Vitamin B2); UNII-TLM2976OFR; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione; Riboflavinequinone; CHEBI:17015; 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine; MFCD00005022; TLM2976OFR; 1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol; 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol; 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol; D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-; NSC 33298; DSSTox_CID_1777; DSSTox_RID_76321; DSSTox_GSID_21777; Riboflavine [INN-French]; Riboflavinum [INN-Latin]; Riboflavina [INN-Spanish]; Isoalloxazine, 7,8-dimethyl-10-D-ribityl-; HSDB 817; 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione; CCRIS 1904; Isoalloxazine, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-; Riboflavin (Vit B2); EINECS 201-507-1; Riboflavin [USP:INN:BAN]; AI3-14697; NSC-33298; 1kyv; 2ccb; 2vxa; ()-Riboflavin; San Yellow B; CAS-83-88-5; NCGC00017291-05; Bisulase (TN); Food Yellow 15; Prestwick_442; 2fl5; 2vx9; 4d1y; Prestwick3_000634; Epitope ID:161730; SCHEMBL7706; CHEMBL1534; BSPBio_000628; MLS001066391; BPBio1_000692; GTPL6578; Riboflavin (JP17/USP/INN); RIBOFLAVINE; VITAMIN B2; DTXSID8021777; INS NO. 101(I); (-)-Riboflavin, 97-103%; HMS2096P10; Benzo[g]pteridine riboflavin deriv.; HY-B0456; ZINC2036848; Tox21_110813; Tox21_111714; Tox21_201633; Tox21_302980; 6,7-Dimethyl-9-ribitylisoalloxazine; BDBM50362895; s2540; Riboflavin (B2), analytical standard; Tox21_111714_1; DB00140; NCI-0033298; NCGC00091288-01; NCGC00091288-02; NCGC00091288-03; NCGC00091288-05; NCGC00179498-01; NCGC00256408-01; NCGC00259182-01; 7,8-dimethyl-10-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione; AS-15936; R437; SMR000112236; AB0008077; R0020; (-)-Riboflavin, tested according to Ph.Eur.; C00255; D00050; Y-9791; (-)-Riboflavin, meets USP testing specifications; A840676; Q130365; (-)-Riboflavin, from Eremothecium ashbyii, >=98%; (-)-Riboflavin, acrylamide photopolymerization tested; Riboflavin, European Pharmacopoeia (EP) Reference Standard; Riboflavin, United States Pharmacopeia (USP) Reference Standard; 3,10-Dihydro-7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl; Riboflavin, Pharmaceutical Secondary Standard; Certified Reference Material; 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol; 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-Benzo[g]pteridine-2,4(3H,10H)-dione; Riboflavin for peak identification, European Pharmacopoeia (EP) Reference Standard; (-)-Riboflavin (Vitamin B2) solution, 100 mug/mL (Methanol:0.1% Ammonium acetate in Water (1:1)), ampule of 1 mL, analytical standard; (-)-Riboflavin, 100 mug/mL (1% ammonium acetate in 50:50 methanol:water), certified reference material, ampule of 1 mL; (-)-Riboflavin, BioReagent, suitable for cell culture, suitable for insect cell culture, >=98%; (-)-Riboflavin-13C4,15N2 (Vitamin B2-13C4,15N2) solution, 100 mug/mL (1% ammonium acetate in 50:50 methanol:water), certified reference material, ampule of 1 mL; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione; 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridine-2,4-dione
DIG Function
Colorant
PubChem CID
493570
Formula
C17H20N4O6
Canonical SMILES
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI
1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChIKey
AUNGANRZJHBGPY-SCRDCRAPSA-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=493570"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 376.4 Topological Polar Surface Area 155
XlogP -1.5 Complexity 680
Heavy Atom Count 27 Rotatable Bond Count 5
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 7
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 02 Benign/in-situ/malignant neoplasm Click to Show/Hide
Nicotinic acid
 API Info
Lung cancer [ICD-11: 2C25]
 [1]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Topiramate
 API Info
Focal seizure [ICD-11: 8A68]
 [2]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Thiosulfate sulfurtransferase (TST) 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 = 8800 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID THTR_HUMAN
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Hsp60-Hsp10 complex (HSPD1-HSPE1) 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 > 100000 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CH60_HUMAN ; CH10_HUMAN
      Other protein families (OPF)
            DBT Name: Riboflavin-binding protein (RTBDN) 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 = 350 nM (tested by experiment) [4]
                    Tested Species Gallus gallus (Chicken)
                    UniProt ID RBP_CHICK
References
1 FDA label for approved nicotinic acid from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved topiramate from the official website of the U.S. Food and Drug Administration.
3 HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules. Bioorg Med Chem Lett. 2019 May 1; 29(9):1106-1112.
4 Bioanalytical Screening of Riboflavin Antagonists for Targeted Drug Delivery - A Thermodynamic and Kinetic Study. ACS Med Chem Lett. 2011 May 12; 2(5):363-367.

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