Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0QU2K)
DIG Name	Rhodamine B
Synonyms	Click to Show/Hide the Synonyms of This DIG RHODAMINE B; 81-88-9; Basic Violet 10; Tetraethylrhodamine; Brilliant Pink B; Rhodamine O; Rheonine B; Rhodamine FB; Calcozine Red BX; Symulex Magenta F; Rhodamine; Rhodamine B chloride; Rhodamine S; Geranium lake N; Rhodamine BA; Rhodamine BF; Rhodamine BL; Rhodamine BN; Rhodamine BS; Rhodamine BX; Rhodamine BXL; Rhodamine BXP; Edicol Suppa Rose BS; Acid Brilliant Pink B; Symulex Pink F; ADC Rhodamine B; Rhodamine FB CL; Ikada Rhodamine B; Rhodamine B Extra; Basic Rose Extract; Iragen Red L-U; Aizen Rhodamine BH; Akiriku Rhodamine B; Takaoka Rhodamine B; Mitsui Rhodamine BX; Rhodamine BA Export; Aizen Rhodamine BHC; Basonyl Red 545; C.I. Basic Violet 10; Diabasic Rhodamine B; Elcozine Rhodamine B; Edicol Supra Rose B; Rhodamine B Extra S; Rhodamine, Blue shade; Edicol Supra Rose BS; Rhodamine Lake Red B; Rhodamine, tetraethyl-; Basic Rose Red; Cerise Toner X1127; C.I. 45170; C.I. Food Red 15; 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride; Cogilor Red 321.10; Eriosin Rhodamine B; Hexacol Rhodamine B Extra; D and C Red No. 19; D&C Red 19; Red No. 213; Violet zasadita 10; Food Red 15; Rhodamine B 20-7470; Rhodamine B Extra M 310; FD and C Red No. 19; Symulex Rhodamine B Toner F; Rhodamine B500 hydrochloride; Calcozine Rhodamine BXP; 11411 Red; Sicilian Cerise Toner A-7127; UNII-K7G5SCF8IL; C.I. No. 45170; MFCD00011931; Cosmetic Brilliant Pink Bluish D conc; Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride; Rhodamine B (C.I. 45170); K7G5SCF8IL; Tetraethyldiamino-o-carboxyphenyl xanthenyl chloride; CHEBI:52334; Rhodamine B, pure; 9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride; RhodamineB; Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride (1:1); (9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride; Rhodamine B, 98+%, pure; Rhodamine B500; Basonyl Red 540; Basonyl Red 545FL; CI Food Red 15; CI Basic Violet 10; Rhodamine S [Russian]; Basic Violet 10;Brilliant Pink B;Rhodamine O;Tetraethylrhodamine; D&C red no.19; FD&C Red No. 19; D&C Red No. 19; N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride; D & C Red No.19; Violet zasadita 10 [Czech]; NSC41837; CCRIS 3985; HSDB 5244; EINECS 201-383-9; NSC 10475; Rhodamines; CI 45170; [9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene] diethylammonium chloride; N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride; Rhodamine B 500; Rhodamine B solution; Calcozine Rhodamine BL; Calcozine Rhodamine BX; DSSTox_CID_22369; DSSTox_RID_80008; Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-,chloride; DSSTox_GSID_42369; SCHEMBL16280; D & C Red No. 19; CHEMBL428971; DTXSID6042369; AMY3544; HY-Y0016; NSC10475; Tox21_301450; NSC-10475; NSC-41837; SBB058177; AKOS000283060; CCG-269534; CS-7637; MCULE-6379896074; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride; Ammonium, (9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, chloride; CAS-81-88-9; N-(9-(2-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-e- thylethanaminium chloride; NCGC00255803-01; Rhodamine B, 99+%, pure, laser grade; AK167929; AS-17153; C.I. 749; Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-e- thyl-, chloride; Ethanaminium, N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride; SY010955; T319; AB0018931; Diethyl-m-aminophenolphthalein hydrochloride; FT-0622587; R0014; R0040; ST50826381; C19517; J10471; Q429022; 9-(2-carboxyphenyl)-3,6-bis(diethylamino) xanthylium chloride; 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride; WLN: T C666 BO EYJ EUK2&2 IR BVQ& MN2&2 &Q &G; 2-[3-(diethylamino)-6-(diethylylidene)xanthen-9-yl]benzoic acid, chloride; 2-[6-(diethylamino)-3-(diethylylidene)xanthen-9-yl]benzoic acid, chloride; [9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene] Diethyl-ammonium Chloride; Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-, chloride (9CI); N -(9-(2-Carboxyphenyl)-6-(diethylamino)-3H -xanthen-3-ylidene)-N-ethylethanaminium chloride
DIG Function	Colorant
PubChem CID	6694
Formula	C28H31ClN2O3
Canonical SMILES	CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]
InChI	1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H
InChIKey	PYWVYCXTNDRMGF-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=6694"></iframe>
Structure	3D MOL is not available		2D MOL
Physicochemical Properties	Molecular Weight	479	Topological Polar Surface Area	52.8
	XlogP	N.A.	Complexity	811
	Heavy Atom Count	34	Rotatable Bond Count	7
	Hydrogen Bond Donor Count	1	Hydrogen Bond Acceptor Count	5

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
Potential-driven transporter (PDT)
DBT Name: Solute carrier SLCO2B1 (OATPB)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	Inhibition ratio = 73.3 % (tested by experiment)		[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	Ki = 44.4 uM (tested by experiment)		[1]
Tested Species	Homo sapiens (Human)
UniProt ID	SO2B1_HUMAN

References
1	Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.

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