require_once( "../navigation.include" ); ?>
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Ergotamine A vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of MIGRAINE.
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pre_formula( "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)/f/h35H", "jqp072/3251.html" ); ?>
Molecular Formula:
C33H35N5O5
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)/f/h35H
InChIKey: InChIKey=XCGSFFUVFURLIX-CSKMVECVCV
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C
Names:
NSC95090
113-15-5
5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
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Registries:
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PubChem CID 3251
PubChem ID 10321043
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