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9,10-Dihydroergocristine Methanesulfonate, TRC

Product Code. 30387604
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10 mg
25 mg
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10mg
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30387604 25 mg -
30386926 10 mg 10mg
30381103 5 mg -
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Product Code. 30387604 Supplier Toronto Research Chemicals Supplier No. TRCD44644025MG

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Chemical Identifiers

CAS 24730-10-7
Molecular Formula C35 H41 N5 O5 . C H4 O3 S
Molecular Weight (g/mol) 707.84
Synonym Dihydroergocristine Mesilate, (6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-2-(1-methylethyl)-3,6-dioxo-octahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate, (5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione methanesulfonate, Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,10α)-, methanesulfonate (1:1) (ACI), Ergocristine, 9,10-dihydro-, monomethanesulfonate (salt) (8CI), Ergocristine, dihydro-, methanesulfonate (6CI, 7CI), Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,10α)-, monomethanesulfonate (salt) (9CI), 9,10-Dihydroergocristine methanesulfonate, Dihydroergocristine mesylate, Dihydroergocristine methanesulfonate, GNF Pf 3462
IUPAC Name (6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-2-(1-methylethyl)-3,6-dioxo-octahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate
SMILES CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O

Specifications

Quantity 25 mg
InChI Formula InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
Formula Weight 707.2989
Chemical Name or Material Dihydroergocristine Mesilate
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