Product Information
Chemical Formula: | C34H36F3NO13 |
---|---|
Molecular Weight: | 723.64 |
Synonyms: | ad32; antibioticad32; nsc-246131; n-trifluoroacetyladriamycin14-valerate; trifluoroacetyl-adriamyci14-valerate; trifluoroacetyladriamycin-14-valerate |
MDL No.: | MFCD01939322 |
EINECS / EC No.: | 1312995-182-4 |
Pubchem CID: | 454216 |
IUPAC Name: | [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate |
Standard InchI: | InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1 |
InchI Key: | ZOCKGBMQLCSHFP-KQRAQHLDSA-N |
SMILES: | CCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O |
Appearance: | - |
Melting Point: | 116-117 °C |
Boiling Point: | 135-136 °C |
Density (Theoretical): | 1.3473 (estimate) |
Refractive Index: | 1.618 |
Safety Information
Signal Word: | Danger |
---|---|
Hazard Statements: | H302-H340-H350-H360 |
Precautionary Statements: | P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501 |
Flash Point: | 478.575 °C |
Transportation Information: | UN 2811 6.1/ PG III |
GHS Pictograms: | ![]() ![]() |