| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 13 | Yes |
Popular Name: N-Methyl-D-glucamine N-Methyl-D-glucamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 133-51-7 , 23277-50-1 , 35564-86-4 , 6284-40-8 , 7115-46-0 , 90191-92-7 , [35564-86-4] , [6284-40-8]
(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol
(2R,3R,4R,5S)-6-(Methylamino)hexane-1,2,3,4,5-pentaol stiborate salt
1-DEOXY-1-(METHYLAMINO)-D-GALACTITOL
1-deoxy-1-(methylamino)hexitol
1-deoxy-1-methylaminosorbitol; N-methyl-D-glucamine
23277-50-1; D05791; Salicylate meglumine (USAN)
6-(methylamino)hexane-1,2,3,4,5-pentol
6284-40-8; D01796; Meglumine (JP16/USP/INN)
D-1-Deoxy-1-(methylamino)glucitol
D-Glucitol, 1-deoxy-1-(methylamino)-
meglumina; meglumine; megluminum
Meglumine;N-Methyl-D-glucamine
N-methyl glucamine antimoniate
N-Methyl-d-glucamine hydrochloride
N-Methyl-D-glucamine Hydrochloride [for Buffer]
| 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) | -2.68 | -8.72 | -43.82 | 7 | 6 | 1 | 118 | 196.223 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.68 | -10.16 | -8.89 | 6 | 6 | 0 | 113 | 195.215 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 128 - 132 | Acros Organics |
| Melting_Point | 128-131? | Alfa-Aesar |
| Melting_Point | 128-131° | Alfa-Aesar |
| MP | 131 | TCI |
| MP | 150 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | diagnostic aid | SMDC Pharmakon |
| UniProt Database Links | MEC6_CAEEL; S38A1_HUMAN; S38A1_MOUSE; S38A1_PONAB; S38A1_RAT; S38A2_BOVIN; S38A2_CHICK; S38A2_DANRE; S38A2_HUMAN; S38A2_MOUSE; S38A2_PANPA; S38A2_RAT; S38A2_XENTR | ChEBI |
| Target | Others | Selleck Chemicals |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417-1-O | Leishmania Infantum (cluster #1 Of 4), Other | Other | 7150 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417 | Z50417 | Leishmania Infantum | 7150 | 0.55 | Functional ≤ 10μM |
