10095-14-4 Purity
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Specification
The molecular formula of 4-Epichlortetracycline hydrochloride is C22H24Cl2N2O8.
The PubChem CID of 4-Epichlortetracycline hydrochloride is 54710414.
The molecular weight of 4-Epichlortetracycline hydrochloride is 515.3 g/mol.
The synonyms of 4-Epichlortetracycline hydrochloride are 4-epi-Chlortetracycline Hydrochloride, 101342-45-4, and 4-epi-Chlortetracycline.
The parent compound of 4-Epichlortetracycline hydrochloride is CID 54678407 (4-Epichlortetracycline).
The IUPAC name of 4-Epichlortetracycline hydrochloride is (4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride.
The InChI of 4-Epichlortetracycline hydrochloride is InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1.
The Canonical SMILES of 4-Epichlortetracycline hydrochloride is CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl.
The ChEMBL ID of 4-Epichlortetracycline hydrochloride is CHEMBL1950580.
The hydrogen bond donor count of 4-Epichlortetracycline hydrochloride is 7.