SML2516

Valrubicin

• Synonym(s): Trifluoroacetyladriamycin 14-valerate
• Empirical Formula (Hill Notation): C₃₄H₃₆F₃NO₁₃
• CAS Number: 56124-62-0
• Molecular Weight: 723.64
• UNSPSC Code: 12352200
• NACRES: NA.77
• Form: powder or crystals

Properties

• form: powder or crystals
• storage temp.: 2-8°C
• SMILES string: FC(F)(F)C(=O)NC1C(C(OC(C1)O[C@H]2C[C@](Cc3c2c(c4c(c3O)C(=O)c5c(c(ccc5)OC)C4=O)O)(O)C(=O)COC(=O)CCCC)C)O
• 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-ZQUOIQDWSA-N

Description

Biochem/physiol Actions

Valrubicin is a semisynthetic derivative of the antineoplastic anthracycline antibiotic doxorubicin. Valrubicin is converted intracytoplasmically into N-trifluoroacetyladriamycin, which interacts with topoisomerase II, stabilizing the complex between the enzyme and DNA and causing cell cycle arrest.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302,H340,H350,H360F
• pcodes: P202 - P264 - P280 - P301 + P312 - P308 + P313 - P405
• Hazard Classifications: Acute Tox. 4 Oral - Carc. 1B - Muta. 1B - Repr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable