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808-26-4 | Sancycline
CAS No: 808-26-4 Catalog No: AG003AG0 MDL No:MFCD00864992
Product Description
Catalog Number:
AG003AG0
Chemical Name:
Sancycline
CAS Number:
808-26-4
Molecular Formula:
C21H22N2O7
Molecular Weight:
414.4086
MDL Number:
MFCD00864992
IUPAC Name:
(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
InChI:
InChI=1S/C21H22N2O7/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29)/t9-,10-,15-,21-/m0/s1
InChI Key:
MTCQOMXDZUULRV-ADOAZJKMSA-N
SMILES:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3cccc(c3C(=O)C1=C2O)O)O)O)C
EC Number:
617-177-0
UNII:
ODN00F2SJG
Properties
Complexity:
892
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
414.143g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
414.414g/mol
Monoisotopic Mass:
414.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Rapid separation of tetracycline derivatives and their main degradation products by capillary zone electrophoresis. | Electrophoresis 20010801 |
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