Tetracycline mustard

Molecular Formula: C₂₇H₃₃Cl₂N₃O₈

InChI: InChI=1/C27H33Cl2N3O8/c1-26(39)13-5-4-6-16(33)17(13)21(34)18-14(26)11-15-20(31(2)3)22(35)19(24(37)27(15,40)23(18)36)25(38)30-12-32(9-7-28)10-8-29/h4-6,14-15,20,30,33-34,38-40H,7-12H2,1-3H3/b25-19+/t14-,15-,20-,26+,27-/m0/s1

InChIKey: InChIKey=DVAZMLQTABKAMN-OOADSCLLBC
SMILES: CC1(C2CC3C(C(=O)C(=C(NCN(CCCl)CCCl)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O

Names:
    NSC47461
    TCM
    Tetracycline mustard
    (2E,4S,4aS,5aS,6S,12aS)-2-[[bis(2-chloroethyl)aminomethylamino]-hydroxy-methylidene]-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
    -(.beta.,.beta.'-Dichlorodiethylaminomethyl)tetracycline
    2-Naphthacenecarboxamide, N-[[bis (2-chloroethyl)amino]methyl]-4-(dimethylamino)-1,4,4a,5,5a, 6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1, 11-dioxo-, (4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12.alpha.))-
    72-09-3

Registries:
    PubChem CID 5355934
    PubChem ID 100452