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113-15-5 ergotamine |
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| Chemical Name | ergotamine |
| Synonyms | Ergotamine [INN:BAN];Ergotamine;12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione;4-25-00-00964 (Beilstein Handbook Reference);BRN 0078890;Ergonsvine;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-;Ergotamin;Ergotamina;Ergotamina [INN-Spanish];Ergotaminum;Ergotaminum [INN-Latin];HSDB 4076;NSC 95090;UNII-PR834Q503T;Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)- (9CI);5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman;(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman |
| Molecular Formula | C33H35N5O5 |
| Molecular Weight | 581.6615 |
| InChl | InChI=1/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 |
| CAS Registry Number | 113-15-5 |
| EINECS | 204-023-9 |
| Molecular Structure |  |
| Density | 1.47g/cm3 |
| Boiling Point | 914.5°C at 760 mmHg |
| Refractive Index | 1.743 |
| Flash Point | 506.9°C |
| Vapour Pressur | 0mmHg at 25°C |
| MSDS | |
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