
CAS Number511-12-6
Synonyms[3H]-Dihydroergotamine; 9,10-Dihydroergotamine; Dihydroergotamin; Dihydroergotamine (base and/or unspecified salts); DIHYDROERGOTAMINE
Molecular FormulaC33H37N5O5
Molecular Weight583.67700
Purity98%
Density1.45g/cm3
Boiling Point899.5ºC at 760mmHg
Melting Point239°
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 511-12-6 |
| Catalog No. | 2A-9010154 |
| Chinese Name | 双氢麦角胺 |
| Synonyms | [3H]-Dihydroergotamine; 9,10-Dihydroergotamine; Dihydroergotamin; Dihydroergotamine (base and/or unspecified salts); DIHYDROERGOTAMINE |
| Molecular Formula | C33H37N5O5 |
| Molecular Weight | 583.67700 |
| Purity | 98 |
| Density | 1.45g/cm3 |
| Boiling Point | 899.5ºC at 760mmHg |
| Melting Point | 239° |
| SMILES | CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21 |
| InChI | InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1 |
| InChI Key | LUZRJRNZXALNLM-JGRZULCMSA-N |
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