Chem
J-GLOBAL ID：200907041081704013   Nikkaji number：J51.504C

Safracin A

サフラシンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H36N4O6
Molecular formula furigana： C28-H36-N4-O6
Molecular weight： 524.618
InChI： InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)
InChI key： AZDDAJXLYMVMAW-UHFFFAOYSA-N
SMILES： COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)N)N3CC4Cc5cc(C)c(OC)c(O)c5C(C3C2)N4C)C1=O
Systematic name  (3)：
  • 2-アミノ-N-[(6,7,9,10,13,14,14a,15-オクタヒドロ-1-ヒドロキシ-2,11-ジメトキシ-3,12,16-トリメチル-10,13-ジオキソ-6,15-エピミノ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-9-イル)メチル]プロピオンアミド
  • 2-アミノ-N-({19-ヒドロキシ-7,18-ジメトキシ-6,17,21-トリメチル-5,8-ジオキソ-11,21-ジアザペンタシクロ[11.7.1.02,11.04,9.015,20]ヘンイコサ-4(9),6,15,17,19-ペンタエン-10-イル}メチル)プロパンアミド
  • 2-amino-N-({19-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15,17,19-pentaen-10-yl}methyl)propanamide
Other name (3)：
  • サフラシンA
  • Safracin A
  • 2-Amino-N-[(6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-epimino-5H-isoquino[3,2-b][3]benzazocin-9-yl)methyl]propionamide
CAS registry number： 87578-98-1
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM