Rhodamine B
PubChem CID: 6694
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| Compound Synonyms | RHODAMINE B, 81-88-9, Basic Violet 10, Brilliant Pink B, Tetraethylrhodamine, Rhodamine O, Calcozine Red BX, Symulex Magenta F, Rhodamine S, Rheonine B, Rhodamine FB, Rhodamine B chloride, Rhodamine, Geranium lake N, Rhodamine BA, Rhodamine BF, Rhodamine BL, Rhodamine BN, Rhodamine BS, Rhodamine BX, Rhodamine BXL, Rhodamine BXP, Basic Rose Red, Rhodamine Lake Red B, Symulex Pink F, ADC Rhodamine B, Edicol Suppa Rose BS, Rhodamine FB CL, Acid Brilliant Pink B, Ikada Rhodamine B, Rhodamine B Extra, Certiqual Rhodamine, Iragen Red L-U, Aizen Rhodamine BH, Akiriku Rhodamine B, Eriosin Rhodamine B, Takaoka Rhodamine B, Mitsui Rhodamine BX, Rhodamine BA Export, Aizen Rhodamine BHC, Basonyl Red 545, Diabasic Rhodamine B, Elcozine Rhodamine B, Edicol Supra Rose B, Rhodamine B Extra S, C.I. Basic Violet 10, Food Red 15, D and C Red No. 19, Rhodamine, Blue shade, Edicol Supra Rose BS, CI Food Red 15, Rhodamine, tetraethyl-, Cerise Toner X1127, Calcozine Rhodamine BXP, C.I. 45170, Rhodamine B500, Cogilor Red 321.10, Hexacol Rhodamine B Extra, Violet zasadita 10, Basonyl Red 540, Red No. 213, D&C Red 19, Rhodamine B 20-7470, Rhodamine B Extra M 310, Basonyl Red 545FL, FD and C Red No. 19, Symulex Rhodamine B Toner F, CI Basic Violet 10, Rhodamine B500 hydrochloride, D&C red no.19, 11411 Red, Basazol Red 71P, C.I. Food Red 15, Sicilian Cerise Toner A-7127, 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride, FD&C Red No. 19, D&C Red No. 19, D & C Red No.19, C.I. No. 45170, Cosmetic Brilliant Pink Bluish D conc, CCRIS 3985, Cerise Toner X 1127, HSDB 5244, UNII-K7G5SCF8IL, CI 45170, K7G5SCF8IL, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride, EINECS 201-383-9, MFCD00011931, NSC 10475, Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride (1:1), Rhodamine B 500, DTXSID6042369, Tetraethyldiamino-o-carboxyphenyl xanthenyl chloride, CHEBI:52334, Rhodamine B (C.I. 45170), NSC-10475, 9-O-Carboxyphenyl-6-diethylamino-3-ethylimino-3-isoxanthene, 3-ethochloride, AKA213, DTXCID4022369, ROSE B W 3005, AKA-213, (9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene) diethylammonium chloride, Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-, chloride, Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-,chloride, D&C RED NO. 19 (DELISTED), FD&C RED NO. 19 (DELISTED), Basic Violet 10, Brilliant Pink B, Rhodamine O, Tetraethylrhodamine, [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium, chloride, RHODAMINE B (IARC), RHODAMINE B [IARC], Ammonium, (9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, chloride, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride, Rhodamine S [Russian], N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride, Ethanaminium, N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride, Violet zasadita 10 [Czech], D&C RED NO. 19 (DELISTED) (II), D&C RED NO. 19 (DELISTED) [II], NSC41837, FD&C RED NO. 19 (DELISTED) (II), FD&C RED NO. 19 (DELISTED) [II], Rodamina B, [9-(o-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene] diethylammonium chloride, Calcozine Rhodamine BL, Calcozine Rhodamine BX, Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethyl-, RHODAMINE B [MI], RHODAMINE B [HSDB], SCHEMBL16280, D+C RED NO 19, D & C Red No. 19, D AND C RED NO 19, CHEMBL428971, FD AND C RED NO 19, RED NO 213, MSK2432, HY-Y0016, NSC10475, Tox21_301450, CI 749, NSC-41837, AKOS000283060, 1ST2432, CCG-269534, CS-7637, FR41351, CAS-81-88-9, N-(9-(2-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-e- thylethanaminium chloride, NCGC00255803-01, AS-17153, C.I. 749, CL 45170, DA-57427, Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-e- thyl-, chloride, SY010955, Diethyl-m-aminophenolphthalein hydrochloride, A5102, NS00113691, R0014, R0040, C19517, D88566, Q429022, DIETHYL-M-AMINO-PHENOLPHTHALEIN HYDROCHLORIDE, TETRAETHYLDIAMINO-O-CARBOXY-PHENYL-XANTHENYL CHLORIDE, 9-(2-carboxyphenyl)-3,6-bis(diethylamino) xanthylium chloride, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride, 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthyliumchloride, WLN: T C666 BO EYJ EUK2&2 IR BVQ& MN2&2 &Q &G, 201-383-9, Ethanaminium, N-(9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-e-thyl-, chloride, N-(9-(2-Carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-e-thylethanaminium chloride |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C(C1)CC1CCCCC1C2C1CCCCC1 |
| Deep Smiles | CCNcccccc6)oc-cc6cccccc6C=O)O)))))))))ccc=[N+]CC))CC)))c6))))))))))))CC.[Cl-] |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | NC1CCC2C(C1)OC1CCCCC1C2C1CCCCC1 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 811.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium, chloride |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H31ClN2O3 |
| Scaffold Graph Node Bond Level | [NH2+]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c1 |
| Inchi Key | PYWVYCXTNDRMGF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | rhodamine b |
| Esol Class | Moderately soluble |
| Functional Groups | [Cl-], c=[N+](C)C, cC(=O)O, cN(C)C, coc |
| Compound Name | Rhodamine B |
| Exact Mass | 478.202 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.202 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 479.0 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | 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 |
| Smiles | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-] |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Kigelia Africana (Plant) Rel Props:Reference:ISBN:9788172360481