| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 29 | No |
Popular Name: Taltirelin Taltirelin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103300-74-9 , 201677-75-0
201677-75-0; Ceredist (TN); D01925; Taltirelin hydrate (JP16)
L-Prolinamide, (4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-
| 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) | -0.63 | -0.07 | -28.91 | 5 | 12 | 0 | 171 | 405.415 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 0.42 | -52.74 | 6 | 12 | 1 | 172 | 406.423 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.63 | 0.44 | -52.52 | 6 | 12 | 1 | 172 | 406.423 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000074702A1 | IBM Patent Data |
