| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 45 | No |
Popular Name: Tubocurarine chloride Tubocurarine chloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 57-94-3 , 57-95-4 , 6989-98-6 , 6989-98-6, 57-94-3 [anhyd , 6989-98-6, 57-94-3 [anhydrous], 41354-45-4 [replaced], 57-95-4 [tubocurarine]
(+)-Tubocurarine chloride hydrochloride
2,2',2'-trimethyl-6,6'-bis(methyloxy)tubocuraran-2,2'-diium-7',12'-diol dichloride
57-94-3; D08655; Tubaine (TN); Tubocurarine Chloride (TN); Tubocurarine chloride (INN)
6989-98-6; Prestwick_489; Tubocurarine chloride pentahydrate (+)
7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium
7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium
Chlorure de tubocurarine [INN-French]
Cloruro de tubocurarina [INN-Spanish]
d-7',12'-Dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium chloride
Tubocuraranium, 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyl-, chloride, hydrochloride
Tubocurarine chloride (anhydrous)
Tubocurarine Chloride Pentahydrate
Tubocurarine, chloride, hydrochloride, (+)-
Tubocurarine, chloride, hydrochloride, (+)- (8CI)
Tubocurarine, dichloride, (+)-
| 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) | 1.99 | 3.03 | -94.42 | 3 | 8 | 2 | 81 | 610.751 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.23e-04 g/l | DrugBank-approved |
| PUBCHEM_PATENT_ID | EP0005143A1; EP0044088A2; EP0105804A2; EP0105804B1; EP0181055A1; EP0193926A2; EP0208874A1; EP0208874B1; EP0233793B1; EP0269030A2; EP0269030B1; EP0290891B1; EP0329778A1; EP0329778B1; EP0378468A2; EP0378468B1; EP0389352A1; EP0389352B1; EP0436157A1; EP043615 | IBM Patent Data |
| Patent Database Links | EP1754712; US2005281845; US2007224284; US2008234257; US2008268071; US7265099; WO2008140859 | ChEBI |
| Therapy | muscle relaxant (skeletal) | SMDC Iconix |
| UniProt Database Links | ZFP42_MOUSE | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 4790 | 0.17 | Binding ≤ 10μM |
| KCNN1-1-E | Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.17 | Binding ≤ 10μM |
| KCNN2-1-E | Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.17 | Binding ≤ 10μM |
| KCNN3-1-E | Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.17 | Binding ≤ 10μM |
| KCNN1-1-E | Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7500 | 0.16 | Functional ≤ 10μM |
| KCNN2-1-E | Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7500 | 0.16 | Functional ≤ 10μM |
| KCNN3-1-E | Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7500 | 0.16 | Functional ≤ 10μM |
| Z104283-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 9720 | 0.16 | Binding ≤ 10μM |
| Z104288-1-O | Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other | Other | 2000 | 0.18 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 4790 | 0.17 | Binding ≤ 10μM |
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 2000 | 0.18 | Binding ≤ 10μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 9720 | 0.16 | Binding ≤ 10μM |
| KCNN1_HUMAN | Q92952 | Small Conductance Calcium-activated Potassium Channel Protein 1, Human | 3000 | 0.17 | Binding ≤ 10μM |
| KCNN2_HUMAN | Q9H2S1 | Small Conductance Calcium-activated Potassium Channel Protein 2, Human | 3000 | 0.17 | Binding ≤ 10μM |
| KCNN3_HUMAN | Q9UGI6 | Small Conductance Calcium-activated Potassium Channel Protein 3, Human | 3000 | 0.17 | Binding ≤ 10μM |
| KCNN3_RAT | P70605 | Small Conductance Calcium-activated Potassium Channel Protein 3, Rat | 9200 | 0.16 | Binding ≤ 10μM |
| KCNN1_RAT | P70606 | Small Conductance Calcium-activated Potassium Channel Protein 1, Rat | 7500 | 0.16 | Functional ≤ 10μM |
| KCNN2_RAT | P70604 | Small Conductance Calcium-activated Potassium Channel Protein 2, Rat | 7500 | 0.16 | Functional ≤ 10μM |
| KCNN3_RAT | P70605 | Small Conductance Calcium-activated Potassium Channel Protein 3, Rat | 7500 | 0.16 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Ca2+ activated K+ channels |
