Chemical Compound

Dalbavancin Impurity

CAS Registry Number 102961-72-8
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Dalbavancin Impurity chemical structure
Primary Record

Dalbavancin Impurity

In stock
9,647 g
Purity
99.7 %
CAS
102961-72-8

Compound Identifiers & Properties

CAS
102961-72-8
PubChem CID
122177137
SMILES
CC(C)CCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(O3)C=C2)C(=O)N1)N(C)C)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O.Cl
Canonical SMILES
CC(C)CCCCCCCC(=O)NC1C(Oc2c3cc4cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C4NC(=O)C4NC(=O)C(Cc5ccc(cc5)O3)NC(=O)C(N(C)C)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c4c3)c3ccc(O)c(c3)-c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3C(C(=O)NCCCN(C)C)NC2=O)OC(C(=O)O)C(O)C1O.Cl

Names & Synonyms

  • Dalbavancin Impurity
  • Dalbavancin IMpurity - A40926-B0
  • 102961-72-8
  • A 40926; Dalbavancin Impurity
  • Antibiotic A 40926 (Mixture)
  • A40926
  • C88H101Cl3N10O28
  • Dalbavancin IMpurity-A40926-B0
  • Dalbavancin IMpurity - A40926-
  • MFCD34187342
  • A-40926
  • BAT-010110
  • CID 122177137
  • Dalbavancin Nucleus HCl(Main A40926)
  • PD056160
  • A1009021
  • 6-[[5,32-Dichloro-22-(dimethylamino)-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(9-methyldecanoylamino)oxane-2-carboxylic acid;hydrochloride
  • 6-[[5,32-Dichloro-22-(dimethylamino)-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,
  • 6-{[5,32-dichloro-22-(dimethylamino)-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2(3),?.2(1)?,(1)?.2(1)?,(3)?.1?,(1)(2).1(2)(3),(2)?.1(2)?,(3)(3).1?(1),??.0(1)?,(3)?.0??,?(1)]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaen-64-yl]oxy}-3,4-dihydroxy-5-(9-methyldecanamido)oxane-2-carboxylic acid hydrochloride