CYCLOCHLOROTINE

Molecular Formula: C₂₄H₃₁Cl₂N₅O₇

InChI: InChI=1/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14-,15-,16-,17-,19-,20-/m0/s1/f/h27-30H

InChIKey: InChIKey=PMBVHCCVEPYDSN-WQAZMMKADR
SMILES: CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO

Names:
    CYCLOCHLOROTINE
    NSC197196
    (3S,7S,10S,13S,16S,17R,18S)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
    12663-46-6

Registries:
    PubChem CID 5458420
    PubChem ID 8140565