Products 16259-34-0

CAS 16259-34-0 is the registry number for Penimocycline. Offered by: TRC. Available pack sizes: 100mg.

Penimocycline
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,5R,6R)-6-[[(2R)-2-[[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS 16259-34-0) is a chemical compound with the molecular formula C39H43N5O12S and a molecular weight of 805.9 g/mol. IUPAC name: (2S,5R,6R)-6-[[(2R)-2-[[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. InChIKey: XXYRJHQJYSUIJA-YABKDXSZSA-N.

Identity
Molecular formulaC39H43N5O12S
Molecular weight805.9 g/mol
IUPAC name(2S,5R,6R)-6-[[(2R)-2-[[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKeyXXYRJHQJYSUIJA-YABKDXSZSA-N
SMILESC[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN[C@H](C5=CC=CC=C5)C(=O)N[C@H]6[C@@H]7N(C6=O)[C@H](C(S7)(C)C)C(=O)O)N(C)C)O

Computed by PubChem (NCBI)

Synonyms: Penimocycline, Penimociclina, Penimocyclinum, Penimociclina [INN-Spanish], Penimocycline [INN:DCF], Penimocyclinum [INN-Latin], PENIMOCYCLINE [INN], XXYRJHQJYSUIJA-YABKDXSZSA-N