ERGTOXIN (CAS 8006-25-5) — formula C28H33N5O5, molecular weight 519.6; category organic chemicals.
| CAS Number | 8006-25-5 |
|---|---|
| Molecular Formula | C28H33N5O5 |
| Molecular Weight | 519.6 |
| LogP | 1 |
| Category | Organic Chemicals |
ERGTOXIN is a carbon-based organic compound with CAS registry number 8006-25-5 and molecular formula C28H33N5O5 (molecular weight 519.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 8006-25-5
Its molecular formula C28H33N5O5 comprises 28 C, 33 H, 5 N, 5 O atoms.
Also known as: ERGTOXIN · 麦角毒碱
Category: organic chemicals
The CAS registry number of ERGTOXIN is 8006-25-5.
Molecular formula C28H33N5O5, molecular weight 519.6.
It is also registered under: ERGTOXIN, 麦角毒碱.
Category: Organic Chemicals.
Independent reference data for ERGTOXIN (CAS 8006-25-5), compiled from public chemistry databases.
| CAS 号 | 8006-25-5 |
|---|---|
| PubChem CID | 3084035 |
| 分子式 | C28H33N5O5 |
| IUPAC 名称 | (6aR,9R)-N-[(1S,2S,4R)-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| UNII（FDA） | 13GR36R05G |
| Molecular Weight | 519.6 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 519.24816917 |
| Monoisotopic Mass | 519.24816917 |
| Topological Polar Surface Area | 118 |
| Heavy Atom Count | 38 |
Ecboline; ERGOTOXINE; Ergotoxin; 8006-25-5; DTXSID90230056; 2J09Y26C6I; RefChem:591077; DTXCID90152547; 2'beta-Isopropylergopeptine; 13GR36R05G; 59630-30-7; UNII-13GR36R05G; UNII-2J09Y26C6I; SCHEMBL3009864; SCHEMBL29377146; 2'.BETA.-ISOPROPYLERGOPEPTINE
麦角毒碱 · CAS 8006-25-5 · C28H33N5O5. UNII 13GR36R05G.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 麦角毒碱