Cas no 97043-09-9 (N-Desacetyl 3-Demethyl Thiocolchicine)

N-Desacetyl 3-Demethyl Thiocolchicine structure
97043-09-9 structure
Product Name:N-Desacetyl 3-Demethyl Thiocolchicine
CAS No:97043-09-9
MF:C19H21NO4S
MW:359.439344167709
CID:1005118
PubChem ID:44368973
Update Time:2025-04-20

N-Desacetyl 3-Demethyl Thiocolchicine Chemical and Physical Properties

Names and Identifiers

    • N-Desacetyl 3-Demethyl Thiocolchicine
    • (7S)-7-amino-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
    • N-DESACETYL 3-DEMETHYL THIOCOLCHICINE,YELLOW SOLID
    • BDBM50014877
    • SCHEMBL21048471
    • 7-Amino-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
    • DTXSID50658499
    • CHEMBL153454
    • 97043-09-9
    • (7S)-7-Amino-3-hydroxy-1,2-dimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
    • N-Desacetyl 3-Demethyl Thiocolchicine (DISCONTINUED, Offer D358835)
    • Inchi: 1S/C19H21NO4S/c1-23-18-15(22)8-10-4-6-13(20)12-9-14(21)16(25-3)7-5-11(12)17(10)19(18)24-2/h5,7-9,13,22H,4,6,20H2,1-3H3/t13-/m0/s1
    • InChI Key: YSTRXCPUTQBTQG-ZDUSSCGKSA-N
    • SMILES: S(C)C1=CC=C2C3C(=C(C(=CC=3CC[C@@H](C2=CC1=O)N)O)OC)OC

Computed Properties

  • Exact Mass: 359.11912932g/mol
  • Monoisotopic Mass: 359.11912932g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 627
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 107

N-Desacetyl 3-Demethyl Thiocolchicine Pricemore >>

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