Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00079
|
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| Drug Name |
Riboflavin
|
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| Synonyms |
(-)-riboflavin; 6,7-Dimethyl-9-D-ribitylisoalloxazine; 7,8-Dimethyl-10-ribitylisoalloxazine; 83-88-5; Aqua-Flave; Beflavin; Beflavine; Dermadram; Fiboflavin; Flavaxin; Flavin BB; Flaxain; HYRE; Hyflavin; Lactobene; Lactoflavin; Lactoflavine; Ribipca; Ribocrisina; Riboderm; Riboflavina; Riboflavina [INN-Spanish]; Riboflavine; Riboflavine [INN-French]; Riboflavinequinone; Riboflavinum; Riboflavinum [INN-Latin]; Ribosyn; Ribotone; Ribovel; Russupteridine Yellow III; Vitaflavine; Vitamin Bi; Vitamin G; Vitasan B2
|
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| Drug Type |
Small molecular drug
|
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| Indication | Acne vulgaris [ICD11:ED80] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C17H20N4O6
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| Canonical SMILES |
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
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| InChI |
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
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| InChIKey |
AUNGANRZJHBGPY-SCRDCRAPSA-N
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| CAS Number |
CAS 83-88-5
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| Pharmaceutical Properties | Molecular Weight | 376.4 | Topological Polar Surface Area | 155 | ||
| Heavy Atom Count | 27 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
-1.5
|
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| PubChem CID | ||||||
| PubChem SID |
10312678
,10321452
,103566330
,109761311
,11528372
,121363265
,124890711
,124890712
,14829102
,17389635
,2105997
,219403
,22390365
,24714797
,24871529
,24888074
,24899340
,24899370
,24899397
,24899415
,3134373
,3554
,38681417
,46392395
,46393994
,46394126
,46507342
,47193671
,47291288
,47662476
,47810933
,48414969
,48416517
,48424048
,48425597
,49698597
,50124213
,53788970
,57405728
,57654584
,57654591
,587736
,78187904
,7847118
,7890227
,81044568
,8144638
,84943984
,87575598
,91697343
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| ChEBI ID |
CHEBI:17015
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| RFVT1 | Transporter Info | Riboflavin transporter 1 | Substrate | [3] | ||
| RFVT2 | Transporter Info | Riboflavin transporter 3 | Substrate | [3] | ||
| RFVT3 | Transporter Info | Riboflavin transporter 2 | Substrate | [3] | ||
| References | ||||||
| 1 | Riboflavin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Multidrug transporter ABCG2/breast cancer resistance protein secretes riboflavin (vitamin B2) into milk. Mol Cell Biol. 2007 Feb;27(4):1247-53. | |||||
| 3 | An intronic variation in SLC52A1 causes exon skipping and transient riboflavin-responsive multiple acyl-CoA dehydrogenation deficiency. Mol Genet Metab. 2017 Dec;122(4):182-188. | |||||
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