| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 31 | Yes |
Popular Name: Nicergoline Nicergoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27848-84-6 , 32222-75-6
(+)-10-Methoxy-1,6-dimethylergoline-8-beta-methanol 5-bromonicotinate
1-Methyl-lumilysergol 8-(5-bromonicotinate) 10-methyl ether
10-Methoxy-1,6-dimethyl-ergolin-8-beta-methanol-(5-bromnicotinat)
10-Methoxy-1,6-dimethyl-ergolin-8-beta-methanol-(5-bromnicotinat) [German]
10-Methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyrindinecarboxylate (ester)
10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate
10-Methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate (ester)
27848-84-6; D01290; Nicergoline (JP16/USAN/INN); Sermion (TN)
32222-75-6; D08271; Nicergoline tartrate; Sermion (TN)
5-Bromonicotinic acid 10-methoxy-1,6-dimethylergoline-8-methyl ester
8-beta-((5-Bromonicotinoyloxy)methyl)-1,6-dimethyl-10-alpha-methoxyergoline
Ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester)
Ergoline-8-beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester)
Ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, (8beta)-, 5-bromo-3-pyridinecarboxylate (ester)
Ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester), (8beta)-
Ergoline-8beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester)
Ergoline-8beta-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester) (8CI)
Nicergoline maleate; Prestwick_513
| 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) | 3.86 | 12.11 | -42.77 | 1 | 6 | 1 | 58 | 485.402 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Cholinergic | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.27e-02 g/l | DrugBank-approved |
| mechanism | a1-Adrenoceptor antagonist | IBScreen Bioactives |
| mechanism | Calcium channel antagonist | IBScreen Bioactives |
| biological_use | Cerebroprotective props | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Cholinergic | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0040591A1; EP0072932A2; EP0123585A2; EP0124067A1; EP0129284A2; EP0129285A2; EP0129285B1; EP0129791A2; EP0148167A2; EP0156645A2; EP0175363A2; EP0204987A1; EP0204987B1; EP0208622A1; EP0251732A2; EP0251732B1; EP0293563A1; EP0319983A1; EP0319983B1; EP034668 | IBM Patent Data |
| biological_use | Has been used in treatment of senile dementia | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | not available | PDSP via PubChem |
| mechanism | Peripheral vasodilator | IBScreen Bioactives |
| Therapy | vasodilator | SMDC Pharmakon |
