Products 35906-51-5

CAS 35906-51-5 appears in our catalog under these names: Cinerubin B, Cinerubin B. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 500μg, 10mg, 5mg, 25mg, 50mg, Get quote.

Cinerubin B
GLPBio
  • size: 1mg, 500μg
  • Variants: 2
from 1523.78
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Cinerubin B
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

Cinerubin B is an anthracycline.

Source: ChEBI

Identity
Molecular formulaC42H51NO16
Molecular weight825.8 g/mol
IUPAC namemethyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
InChIKeyZBDDFHXUDIPRSM-DQCCILMQSA-N
SMILESCC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]7[C@@H]([C@@H](O6)C)O[C@H]8[C@@H](O7)CC(=O)[C@@H](O8)C)N(C)C)O

Computed by PubChem (NCBI)

Synonyms: Cinerubin B, Cinerubine B, Tauromycetin-III, Antibiotic MA 144B2, Tavromycetin III, orb1690576
Isomers (same molecular formula)
methyl (1R,2R,4R)-4-[(2R,4R,5R,6S)-4-(dimethylamino)-5-[[(1R,3S,5S,8S,10S,12R,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate C42H51NO16
methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate C42H51NO16