Chemical Compound

Calcimycin hemicalcium salt

CAS Registry Number 59450-89-4
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Calcimycin hemicalcium salt chemical structure
Primary Record

Calcimycin hemicalcium salt

In stock
8,673 g
Purity
99.5 %
CAS
59450-89-4

Compound Identifiers & Properties

CAS
59450-89-4
PubChem CID
51346569
SMILES
C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)[O-])NC.C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)[O-])NC.[Ca+2]
Canonical SMILES
CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)[O-].CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)[O-].[Ca+2]

Names & Synonyms

  • Calcimycin hemicalcium salt
  • LAQWEYASNNRUGY-UIOMRPQBSA-L
  • DA-62004
  • 59450-89-4
  • calcium;5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate