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76129-11-8 | thiodemecolcine
CAS No: 76129-11-8 Catalog No: AG00GGAF MDL No:
Product Description
Catalog Number:
AG00GGAF
Chemical Name:
thiodemecolcine
CAS Number:
76129-11-8
IUPAC Name:
1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
InChI:
InChI=1S/C21H25NO4S/c1-22-15-8-6-12-10-17(24-2)20(25-3)21(26-4)19(12)13-7-9-18(27-5)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3
InChI Key:
RRCKMQLZGKWNPR-UHFFFAOYSA-N
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.15g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.494g/mol
Monoisotopic Mass:
387.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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