| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 23 | No |
Popular Name: Dantrolene sodium Dantrolene sodium
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14663-23-1 , 14663-23-1; 24868-20-0; 85008-72-6 , 24868-20-0 , 24868-20-0, 14663-23-1 [a , 24868-20-0, 14663-23-1 [anhydrous], 7261-97-4 [dantrolene] , 7261-97-4 , 85008-71-5 , [14663-23-1] , [7261-97-4]
1-(((5-(4-Nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione
1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin
1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin anion; dantrolene anion
1-((5-(p-nitrophenyl)furfurylidene)amino)hydantoin; Dantrolene
1-({(1E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione
1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione
1-[(5_(p-Nitro_phenyl)furfurylidene)amino]hydantoin sodium salt
1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
14663-23-1; C07933; Dantrolene sodium anhydrous
2,4-Imidazolidinedione, 1-(((5-(4-nitrophenyl)-2-furanyl)methylene)amino)-
2,4-Imidazolidinedione, 1-[[[5-(4-nitrophenyl)-2-furanyl]methylene]amino]-
7261-97-4; D02347; Dantrolene (USAN/INN)
CPD000326766; Dantrolene sodium salt; SAM002703135
CPD000326766; Dantrolene Sodium; SAM002703135
Dantrolene free base; (for R&D only)
Dantrolene sodium hemiheptahydrate
Dantrolene sodium salt dihydrate; Prestwick_825
Dantrolene Sodium Salt Hydrate
DANTROLENE SODIUM; dantrolene sodium
dantrolene; dantroleno; dantrolenum
Dantroleno [INN-Spanish];Dantrolenum [INN-Latin]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.75 | 4.42 | -23.48 | 1 | 9 | 0 | 121 | 314.257 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 1.83 | -52.95 | 0 | 9 | -1 | 127 | 313.249 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_SUBSTANCE_COMMENT | 14663-23-3 | PDSP via PubChem |
| ALOGPS_SOLUBILITY | 8.05e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | muscle relaxant (skeletal) | SMDC MicroSource |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3030; NCC_SUPPLIER_SAMPLE_COMMENTS : ORANGE POWDER; 1 Sodium | NIH Clinical Collection via PubChem |
| UniProt Database Links | RYR1_HUMAN | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3030; SALT: 1 Sodium; SUPPLIER_COMMENTS: ORANGE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q28953-1-E | Ryanodine Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.40 | Binding ≤ 10μM |
| RYR1-1-E | Ryanodine Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.40 | Binding ≤ 10μM |
| RYR3-1-E | Ryanodine Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.40 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 6310 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RYR1_PIG | P16960 | Ryanodine Receptor 1, Pig | 210 | 0.41 | Binding ≤ 1μM |
| Q28953_PIG | Q28953 | Ryanodine Receptor 2, Pig | 210 | 0.41 | Binding ≤ 1μM |
| RYR3_HUMAN | Q15413 | Ryanodine Receptor 3, Human | 210 | 0.41 | Binding ≤ 1μM |
| RYR1_PIG | P16960 | Ryanodine Receptor 1, Pig | 1500 | 0.35 | Binding ≤ 10μM |
| Q28953_PIG | Q28953 | Ryanodine Receptor 2, Pig | 1500 | 0.35 | Binding ≤ 10μM |
| RYR3_HUMAN | Q15413 | Ryanodine Receptor 3, Human | 1500 | 0.35 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Stimuli-sensing channels |
No pre-computed analogs available. Try a structural similarity search.