
CAS Number511-09-1
Synonyms(5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; Ergocryptine; 12'-hydroxy-5'; alpha-ergocryptine; (5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; α-Ergocryptine; a-Ergocryptine; 12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione; 12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione; (5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
Molecular FormulaC32H41N5O5
Molecular Weight575.698
Purity98.00%
Density1.4±0.1 g/cm3
Boiling Point861.7±65.0 °C at 760 mmHg
Melting Point152-154ºC
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 511-09-1 |
| Catalog No. | 2A-1171189 |
| Chinese Name | 麦角克碱 |
| Synonyms | (5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; Ergocryptine; 12'-hydroxy-5'; alpha-ergocryptine; (5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; α-Ergocryptine; a-Ergocryptine; 12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione; 12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione; (5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman |
| Molecular Formula | C32H41N5O5 |
| Molecular Weight | 575.698 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 861.7±65.0 °C at 760 mmHg |
| Melting Point | 152-154ºC |
| Packaging | III |
| PubChem ID | 9748 |
| SMILES | CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12 |
| InChI | InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38) |
| InChI Key | YDOTUXAWKBPQJW-NSLWYYNWSA-N |
| Hazard Symbols | 6.1(b) |
| Transport Info | Product Name: α-Ergocryptine |
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