5679-00-5
7-DIDEMETHYL MINOCYCLINE
Name7-DIDEMETHYL MINOCYCLINE
1Identification
【Name】
7-DIDEMETHYL MINOCYCLINE
【CAS】
【MDL】
MFCD09952187
【English Synonyms】
[4S-(4ALPHA,4AALPHA,5AALPHA,12AALPHA)]-7-AMINO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE
【Formula】
C21 H23 N3 O7
【MolWeight】
429.427
【Inchi】
InChI=1S/C21H23N3O7/c1-24(2)15-9-6-7-5-8-10(22)3-4-11(25)13(8)16(26)12(7)18(28)21(9,31)19(29)14(17(15)27)20(23)30/h3-4,7,9,15,25,27-28,31H,5-6,22H2,1-2H3,(H2,23,30)/t7-,9-,15-,21-/m0/s1
【InChIKey】
InChIKey=UNWRIWATQPEZLL-UVPAEMEASA-N
【SMILES】
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N
【MOL File】
7-DIDEMETHYL MINOCYC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:10
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-DIDEMETHYL MINOCYCLINE.cml