methylergometrine (CAS 113-42-8) — formula C20H25N3O2, molecular weight 339.4; category organic chemicals.
| CAS Number | 113-42-8 |
|---|---|
| Molecular Formula | C20H25N3O2 |
| Molecular Weight | 339.4 |
| Melting Point | 172 |
| LogP | 1.2 |
| Category | Organic Chemicals |
methylergometrine is a carbon-based organic compound with CAS registry number 113-42-8 and molecular formula C20H25N3O2 (molecular weight 339.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 113-42-8
Its molecular formula C20H25N3O2 comprises 20 C, 25 H, 3 N, 2 O atoms.
Also known as: methylergometrine · 甲基麦角新碱
Category: organic chemicals
The CAS registry number of methylergometrine is 113-42-8.
Molecular formula C20H25N3O2, molecular weight 339.4.
It is also registered under: methylergometrine, 甲基麦角新碱.
Category: Organic Chemicals.
Independent reference data for methylergometrine (CAS 113-42-8), compiled from public chemistry databases.
| CAS Registry Number | 113-42-8 |
|---|---|
| PubChem CID | 8226 |
| Molecular formula | C20H25N3O2 |
| IUPAC name | (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| UNII (FDA) | W53L6FE61V |
| Molecular Weight | 339.4 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.19467705 |
| Monoisotopic Mass | 339.19467705 |
| Topological Polar Surface Area | 68.4 |
| Heavy Atom Count | 25 |
| Melting Point | 172 |
|---|---|
| Melting Point | 172 °C |
| Solubility | 25 |
| Solubility | 2.04e-01 g/L |
| LogP | 1.2 |
methylergonovine; Methylergometrine; Methylergobasin; Methylergobasine; Methylergobrevin; Methylergometrin; Methylergonovin; 113-42-8; Partergin; Basofortina; Ergotyl; Metilergometrina; Methergin; Methylergometrinum; Ergometrine, methyl-; D-Lysergic acid-(+)-butanolamide-(2)
methylergometrine · CAS 113-42-8 · C20H25N3O2. UNII W53L6FE61V. Melting Point: 172; Melting Point: 172 °C; Solubility: 25.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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