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Basic Information
CAS No.: 72028-04-7
Name: iron(3+) 6-amino-2-{1-[(2-amino-3-azanidyl-3-oxopropyl)amino]-3-azanidyl-3-oxopropyl}-N-[1-{[3-({4-[(azanidylcarbonyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-({5-[(1-
Molecular Structure:
Molecular Structure of 72028-04-7 (iron(3+) 6-amino-2-{1-[(2-amino-3-azanidyl-3-oxopropyl)amino]-3-azanidyl-3-oxopropyl}-N-[1-{[3-({4-[(azanidylcarbonyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-({5-[(1-)
Formula: C55H83FeN17O21S3
Molecular Weight: 1470.58
Hazard Symbols:
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.
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Chemistry

Empirical Formula of Iron bleomycin (CAS NO.72028-04-7): C55H80FeN17O21S3
Molecular Weight: 1467.365 g/mol
Structure of Iron bleomycin (CAS NO.72028-04-7):
                    
IUPAC Name: 6-Amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]-5-methylpyrimidine-4-carboximidate ; Iron(3+)
Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])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)[O-].[Fe+3]
InChI: InChI=1S/C55H83N17O21S3.Fe/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;/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);/q;+3/p-3
InChIKey: LVVRXSQCDFHTSY-UHFFFAOYSA-K

Toxicity Data With Reference

1.    

dnd-hmn ast 5 µmol/L

     CNREA8    Cancer Research. 50 (1990),5275.

Safety Profile

Mutation data reported. When heated to decomposition Iron bleomycin (CAS NO.72028-04-7) emits toxic vapors of NOx and SOx.

Specification

 Iron bleomycin , its cas register number is 72028-04-7. It also can be called Ferric bleomycin A2 ; Iron(3+), (N1-(3-(dimethylsulfonio)propyl)bleomycinamidato)- ; and Iron(III)-bleomycin complex .