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CAS No.: | 149934-21-4 |
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Name: | 9-Amino minocycline hydrochloride |
Molecular Structure: | |
Formula: | C23H28N4O7.HCl |
Molecular Weight: | 508.95 |
Synonyms: | 2-Naphthacenecarboxamide,9-amino-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-,monohydrochloride, [4S-(4a,4aa,5aa,12aa)]- (9CI);9-Aminominocycline hydrochloride; |
EINECS: | 604-710-7 |
Safety: | 24/25 |
PSA: | 190.65000 |
LogP: | 1.85230 |
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The 9-Amino-minocycline hydrochloride, with the CAS registry number 149934-21-4, is also known as 2-Naphthacenecarboxamide, 9-amino-4,7-bis(dimethylamino)-1,4,4alpha,5,5alpha,6,11,12alpha-octahydro-3,10,12,12alpha-tetrahydroxy-1,11-dioxo-, (4S,4alphaS,5alphaR,12alphaS)-, hydrochloride (1:1). It belongs to the product categories of Intermidiate of Tigecycline; Amines; (Intermediates of Tigecycline). This chemical's molecular formula is C23H28N4O7.HCl and molecular weight is 508.95. Its IUPAC name is called (4S,4alphaS,5alphaR,12alphaS)-9-Amino-4,7-bis(dimethylamino)-3,10,12,12alpha-tetrahydroxy-1,11-dioxo-1,4,4alpha,5,5alpha,6,11,12alpha-octahydrotetracene-2-carboxamide hydrochloride (1:1).
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)c1cc(c(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O)N.Cl
(2)InChI: InChI=1/C23H28N4O7.ClH/c1-26(2)12-7-11(24)17(28)14-9(12)5-8-6-10-16(27(3)4)19(30)15(22(25)33)21(32)23(10,34)20(31)13(8)18(14)29;/h7-8,10,16,28,30-31,34H,5-6,24H2,1-4H3,(H2,25,33);1H/t8-,10-,16-,23-;/m0./s1
(3)InChIKey: KYFXMIINWSZGCG-KBTHSJHIBF