2'-ethyl-12'-hydroxy-5'-isopropyl-9,10-dihydro-ergotamane-18,3',6'-trione
Modify Date: 2025-09-13 16:51:14
2'-ethyl-12'-hydroxy-5'-isopropyl-9,10-dihydro-ergotamane-18,3',6'-trione structure
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Common Name | 2'-ethyl-12'-hydroxy-5'-isopropyl-9,10-dihydro-ergotamane-18,3',6'-trione | ||
|---|---|---|---|---|
| CAS Number | 35167-84-1 | Molecular Weight | 549.66100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C30H39N5O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 2'-ethyl-12'-hydroxy-5'-isopropyl-9,10-dihydro-ergotamane-18,3',6'-trione |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C30H39N5O5 |
|---|---|
| Molecular Weight | 549.66100 |
| Exact Mass | 549.29500 |
| PSA | 118.21000 |
| LogP | 2.08910 |
| InChIKey | QKMRPKVJXKAXHL-OLNIQZLRSA-N |
| SMILES | CCC1(NC(=O)C2CC3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(C(C)C)N2C1=O |
| Ergotaman-3',6',18-trione,2'-ethyl-9,10-dihydro-12'-hydroxy-5'-(1-methylethyl)-, (5'a,10a)- |