| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2008 | 43 | No |
Popular Name: Dihydroergotoxine Dihydroergotoxine
(10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
(5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
8067-24-1; Dihydroergotoxine mesylate; Prestwick_746
9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
Dihidroergotamina [INN-Spanish]
Dihydroergotamine methanesulfonate
Dihydroergotaminum [INN-Latin]
Ergoloid Mesylates (dihydroergotoxine)
Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,10alpha)-
| 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) | 2.09 | 9.01 | -52.25 | 4 | 10 | 1 | 119 | 584.697 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0001115A2; EP0038585A1; EP0148167A2; EP0152106A2; EP0152106B1; EP0159167A2; EP0159167B1; EP0159168A2; EP0204987A1; EP0204987B1; EP0242812A1; EP0342396A1; EP0352190B1; EP0361354A1; EP0396973A1; EP0401093A1; EP0401093B1; EP0411629A2; EP0411629B1; EP041282 | IBM Patent Data |
