Cas no 115722-50-4 (5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI))

5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI) structure
115722-50-4 structure
Product Name:5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI)
CAS No:115722-50-4
MF:C24H35N3O6
MW:461.551206827164
CID:190093
PubChem ID:20839803
Update Time:2025-04-19

5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI)
    • (8Z)-2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
    • 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-manno...
    • 5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-
    • DC 102 antibiotic
    • (2Z)-11-methoxy-5-oxo-2-propylidene-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c]
    • 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-7-((4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl)oxy)-11-methoxy-2-propylidene-
    • 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7-((4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl)oxy)-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-
    • DC 102
    • 115722-50-4
    • (8E)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
    • Antibiotic DC 102
    • Inchi: 1S/C24H35N3O6/c1-6-7-14-10-18-21(31-5)26-17-9-8-15(11-16(17)22(29)27(18)12-14)33-23-20(28)24(3,30)19(25-4)13(2)32-23/h7-9,11,13,18-21,23,25-26,28,30H,6,10,12H2,1-5H3/b14-7+/t13-,18?,19-,20-,21?,23-,24+/m0/s1
    • InChI Key: MOZKTLDMJSXLBW-HXIFYCGYSA-N
    • SMILES: O1[C@H]([C@@H]([C@@](C)([C@H]([C@@H]1C)NC)O)O)OC1C=CC2=C(C=1)C(N1C/C(=C/CC)/CC1C(N2)OC)=O

Computed Properties

  • Exact Mass: 461.25275
  • Monoisotopic Mass: 461.252586
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 750
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 113
  • XLogP3: 1

Experimental Properties

  • Density: 1.29
  • Boiling Point: 674.5°Cat760mmHg
  • Flash Point: 361.7°C
  • Refractive Index: 1.61
  • PSA: 112.52

5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,7-[[4,6-dideoxy-3-C-methyl-4-(methylamino)-a-L-mannopyranosyl]oxy]-1,2,3,10,11,11a-hexahydro-11-methoxy-2-propylidene-(9CI) Related Literature

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