Dihydroergotamine Mesylate

(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid

Also Known As: Dihydroergotamine mesylate|Migranal|Dihydergot|Dihytamine|Dihydroergotamine mesilate|Dihydroer|Dihydroergotamine methanesulfonate|Dromelate|Trudhesa|Tonopan|Diergo|GOtamine mesylate|dihydroergotamine|DETMS|Migranal (TN)|Trudhesa (TN)|Dihydro Ergotamine Mesylate|DHE-45|ATZUMI|BREKIYA|EMBOLEX|9,10-Dihydroergotamine mesylate|Dihydroergotamine monomethanesulfonate|Dihydroergotamine (mesylate)|D.H.E. 45|Mesylate, Dihydroergotamine|DHE45|Dihydroergotamine mesylate [USAN]|Dihydroergotamine mesilate CRS|SPECTRUM1500248|EINECS 228-235-6|MT 300|DHE 45|HY-B0670AR|rboxamide methanesulfonate(salt)|Dihydroergotamine Mesylate Nasal

Molecular Formula	C34H41N5O8S
Molecular Weight	679.2676 g/mol
LogP	1.59
Topological Polar Surface Area	172.58 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	679.2676
Heavy Atoms	48
Complexity	1876.0

Chemical Identifiers

CAS Number	6190-39-2
SMILES	C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O