Primary Record
Defluina
- In stock
- 4,672 g
- Purity
- 98.1 %
- CAS
- 52623-83-3
Compound Identifiers & Properties
- CAS
- 52623-83-3
- PubChem CID
- 11979883
- SMILES
- C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.CC(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.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.CS(=O)(=O)O
- Canonical SMILES
- CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.CS(=O)(=O)O.CS(=O)(=O)O
Names & Synonyms
- Defluina
- RefChem:1083053
- CID11979883
- LS-99763
- 52623-83-3
- C35H41N5O5.C33H37N5O5.C21H24N2O3.CH4O3S.CH4O3S
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha)-, mixt. with (5'-alpha,10-alpha)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione monomethanesulfonate (salt) and (5'-alpha,10-alpha)-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18- trione monomethanesulfonate (salt)
- C35-H41-N5-O5.C33-H37-N5-O5.C21-H24-N2-O3.C-H4-O3-S.C-H4-O3-S
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)-, mixt. with (5'.alpha.,10.alpha.)-9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione monomethanesulfonate (salt) and (5'.alpha.,10.alpha.)-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione monomethanesulfonate (salt)