Description:
Valrubicin (AD-32) is a chemotherapy drug used to treat bladder cancer. It is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder.
- Molecular Weight: 723.64
- Molecular Formula: C34H36F3NO13
Purity: >98%
Canonical SMILES:
CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O
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
InChIKey: ZOCKGBMQLCSHFP-KQRAQHLDSA-N
- Boiling Point: 867.7±65.0°C at 760 mmHg
- Melting Point: >206°C (dec.)
- Solubility: Soluble in DMSO (Slightly), Methanol (Slightly)
- Appearance: Red Solid
- Application: Antineoplastic
- Storage: Store at -20°C
Synonyms:
Pentanoic Acid 2-[(2S,4S)-1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl Ester; Antibiotic AD 32; N-Trifluoroacetyladriamycin 14-Valerate; NSC 246131; Valstar; Valtaxin; 2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate
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