113-15-5 ergotamine

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Product Name	ergotamine
CAS No.	113-15-5
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
InChI	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
Molecular Formula	C₃₃H₃₅N₅O₅
Molecular Weight	581.6615
Density	1.47g/cm3
Boiling point	914.5°C at 760 mmHg
Flash point	506.9°C
Refractive index	1.743