DEMECYCLINE

CAS No.
987-02-0
CCD No.
CCD00173965
Formula
C21 H22 N2 O8
MolWeight
430.411

Basic Information

Product Name: DEMECYCLINE
CAS: 987-02-0
English Synonyms: DEMECYCLINE
MDL Number.: MFCD00864883
H bond acceptor: 10
H bond donor: 6
Smile: CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)O
InChi: InChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1
InChiKey: InChIKey=JCSGAUKCDAVARS-SOUFLCLCSA-N

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