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Quinolines and derivatives

Quinolines and derivatives

Aromatic organic heterocyclic compounds that contain a benzene ring fused with a six-membered ring that contains one nitrogen atom and five carbon atoms. Includes compounds that are derived from quinolines.
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Dihydroergotamine methanesulfonate, Thermo Scientific Chemicals

CAS: 6190-39-2 Molecular Formula: C34H41N5O8S Molecular Weight (g/mol): 679.79 MDL Number: MFCD00058615 InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N Synonym: dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-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 PubChem CID: 6420006 IUPAC Name: (2R,4R,7R)-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]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O

PubChem CID 6420006
CAS 6190-39-2
Molecular Weight (g/mol) 679.79
MDL Number MFCD00058615
SMILES CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
Synonym dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-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
IUPAC Name (2R,4R,7R)-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]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
InChI Key ADYPXRFPBQGGAH-UMYZUSPBSA-N
Molecular Formula C34H41N5O8S