Catalog Number:
AG00AD72
Chemical Name:
9-Aminodoxycycline hydrochloride
CAS Number:
171807-99-1
Molecular Formula:
C22H27Cl2N3O8
Molecular Weight:
532.3711
MDL Number:
MFCD23701099
IUPAC Name:
(4S,5S,6R,12aR)-9-amino-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrochloride
InChI:
InChI=1S/C22H25N3O8.2ClH/c1-6-7-4-5-8(23)15(26)10(7)16(27)11-9(6)17(28)13-14(25(2)3)18(29)12(21(24)32)20(31)22(13,33)19(11)30;;/h4-6,9,13-14,17,26-28,31,33H,23H2,1-3H3,(H2,24,32);2*1H/t6-,9?,13?,14-,17-,22-;;/m0../s1
InChI Key:
QEWKWVAUKGEOPK-LJPYLGAVSA-N
SMILES:
O[C@H]1C2[C@@H](C)c3ccc(c(c3C(=O)C2=C([C@]2(C1[C@H](N(C)C)C(=C(C2=O)C(=O)N)O)O)O)O)N.Cl.Cl
