Blexane

Bleomycin A complex of related glycopeptide antibiotics from Streptomyces verticillus consisting of bleomycin A2 and B2. It inhibits DNA metabolism and is used as an antineoplastic, especially for solid tumors.

Molecular Formula: C₅₅H₈₅N₁₇O₂₅S₄

InChI: InChI=1/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21u,22u,23?,24?,25u,29-,30+,34?,35?,36?,37+,38+,39-,40-,41?,42-,43-,53+,54-;/m0./s1/fC55H84N17O21S3.HO4S/h62-63,65-66,70-71H,57-60H2;1H/q+1;-1

InChIKey: InChIKey=WUIABRMSWOKTOF-FTAHVARIDT
SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]

Names:
    Blenoxane
    Bleomycin sulfate [Bleomycins]
    Bleomycin sulfate [USAN:JAN]
    Bleomycin sulfate
    Bleomycin, sulfate (salt)
    Bleomycin, sulfate
    Blexane
    CCRIS 2470
    DRG-0045
    EINECS 232-925-2

Registries:
    PubChem CID 72466
    PubChem ID 214733