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
Molecular Identity
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
PubChem CID: 71171
Dihydroergotamine Mesylate can cause developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C34H41N5O8S
Molecular Formula
679.80
Molecular Weight
g/mol
679.2676
Exact Mass
Da
181
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
1260
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)OIsomeric SMILES
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)OSynonyms(20)
Dihydroergotamine mesylate6190-39-2Dihydroergotamine methanesulfonateDihydroergotamine mesilateDHE-45Dihydroergotamine monomethanesulfonate9,10-Dihydroergotamine mesylateD.H.E. 4581AXN7R2QTNSC-759848CHEBI:59756DTXSID00904615DromelateTonopanTrudhesa
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dihydroergotamine Mesylate
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