Chemical Compound

(1S,2R,4R,7S)-7-benzyl-4-methyl-4-[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0(2),?.0(1)(2),(1)?]hexadeca-1(16),9,12,14-tetraene-4-amido]-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0(2),?]dodecan-2-yl methanesulfonate

CAS Registry Number 6190-39-2
(1S,2R,4R,7S)-7-benzyl-4-methyl-4-[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0(2),?.0(1)(2),(1)?]hexadeca-1(16),9,12,14-tetraene-4-amido]-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0(2),?]dodecan-2-yl methanesulfonate 结构式
Primary record

(1S,2R,4R,7S)-7-benzyl-4-methyl-4-[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0(2),?.0(1)(2),(1)?]hexadeca-1(16),9,12,14-tetraene-4-amido]-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0(2),?]dodecan-2-yl methanesulfonate

库存
7,431 克
纯度
98.6 %
CAS
6190-39-2

化合物标识与属性

CAS
6190-39-2
PubChem CID
20609562
SMILES
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)OS(=O)(=O)C)CC4=CC=CC=C4)NC(=O)[C@@H]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
Canonical SMILES
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(OS(C)(=O)=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21

名称与同义词

  • Dihydroer
  • GOtamine mesylate
  • Dihydro Ergotamine Mesylate
  • Dihydroergotamine methanesulfonate
  • SCHEMBL1320531
  • AKOS016844890
  • AS-59132
  • 6190-39-2
  • (1S,2R,4R,7S)-7-benzyl-4-methyl-4-[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0(2),?.0(1)(2),(1)?]hexadeca-1(16),9,12,14-tetraene-4-amido]-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0(2),?]dodecan-2-yl methanesulfonate
  • [(1S,2R,4R,7S)-4-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]amino]-7-benzyl-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-2-yl] methanesulfonate