Cas no 106209-14-7 (Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester)

Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester structure
106209-14-7 structure
Product Name:Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester
CAS No:106209-14-7
MF:C31H34N4O10
MW:622.622468471527
CID:147573
PubChem ID:160094
Update Time:2025-04-19

Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester
    • Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydro
    • Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-
    • Saframycin R
    • Acetic acid, hydroxy-,7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester, [6S
    • Aceticacid, hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester (9CI)
    • Acetic acid, hydroxy-, 7-cyano-9-(((1,2-dioxopropyl)amino)methyl)-1,5,6,7,9,14,14a,15-octahydro-10-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4-dioxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-13-yl ester, (6S-(6-alpha,7-alpha,9-beta,14a-alpha,15-alpha))-
    • [(1S,2S,10R,12R,13R)-12-cyano-16-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-19-yl] 2-hydroxyacetate
    • 106209-14-7
    • 85411-35-4
    • DTXSID10909959
    • 7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate
    • Inchi： 1S/C31H34N4O10/c1-12-25(39)15-8-18-24-23-16(26(40)13(2)29(44-6)30(23)45-21(38)11-36)7-17(34(24)4)19(9-32)35(18)20(10-33-31(42)14(3)37)22(15)27(41)28(12)43-5/h17-20,24,36,40H,7-8,10-11H2,1-6H3,(H,33,42)/t17-,18+,19+,20+,24-/m1/s1
    • InChI Key： GATZXGIUISULHU-WDDJOWQOSA-N
    • SMILES： O(C(CO)=O)C1=C(C(C)=C(C2=C1[C@H]1[C@@H]3CC4C(C(C)=C(C(C=4[C@H](CNC(C(C)=O)=O)N3[C@@H](C#N)[C@@H](C2)N1C)=O)OC)=O)O)OC

Computed Properties

  • Exact Mass: 622.227
  • Monoisotopic Mass: 622.227
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 8
  • Complexity: 1430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 196?2

Experimental Properties

  • Density: 1.48
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.653

Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester Related Literature

Related Categories

106209-14-7 (Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester) Related Products

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