Name | ergocornine |
Synonyms | NSC 407316 ergocornin ERGOCORNINE ergocornine 12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione (5'α)-12'-Hydroxy-2',5'-bis(1-Methylethyl)ergotaMan-3',6',18-trione 12'-HYDROXY-2',5'-ALPHA-BIS(1-METHYL-ETHYL)ERGOTAMAN-3',6',18-TRIONE 18-trione,12'-hydroxy-2',5'-bis(1-methylethyl)-6(5'-alpha)-ergotaman-3 |
CAS | 564-36-3 |
EINECS | 209-272-7 |
InChI | InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1 |
Molecular Formula | C31H39N5O5 |
Molar Mass | 561.67 |
Density | 1.1897 (rough estimate) |
Melting Point | 182-184℃ (decomposition) (methanol ) |
Boling Point | 628.48°C (rough estimate) |
Specific Rotation(α) | D20 -110° (pyridine); -175° (chloroform) |
Flash Point | 472.9°C |
Solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4mg/mL |
Vapor Presure | 2.18E-31mmHg at 25°C |
Appearance | solid |
Color | white |
pKa | 9.58±0.60(Predicted) |
Refractive Index | 1.7500 (estimate) |
UN IDs | UN 1544 6.1/PG 3 |
WGK Germany | 3 |
RTECS | KE7630000 |
Hazard Class | 6.1(b) |
Packing Group | III |