Ergotaminine

CAS: 639-81-6

Ref. 04-C13201610

Informação sobre produto

• Nome: Ergotaminine
• Sinónimos: Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'a,8a)-, Ergotaminine (6CI,7CI,8CI), (5'a,8a)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione, 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trione deriv., Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv., Isoergotamine, (5′α,8α)-12′-Hydroxy-2′-methyl-5′-(phenylmethyl)ergotaman-3′,6′,18-trione, 12'-Hydroxy-2'-methyl-5'a-(phenylmethyl)-8a-ergotaman-3',6',18-trione, 639-81-6, 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv., Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-methyl-5′-(phenylmethyl)-, (5′α,8α)-, Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
• Marca: Doctor Ehrenstorfer

Propriedades químicas

• Peso molecular: 581.66
• Fórmula: C₃₃H₃₅N₅O₅
• Cor/forma: Neat
• InChI: InChI=1S/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-/m0/s1
• Chave InChI: InChIKey=XCGSFFUVFURLIX-BRMNWJGKSA-N
• SMILES: CN1C[C@@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21