Chemical Compound

Dalbavancin

CAS Registry Number 171500-79-1
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Dalbavancin chemical structure
Primary Record

Dalbavancin

In stock
3,553 g
Purity
99.6 %
CAS
171500-79-1

Compound Identifiers & Properties

CAS
171500-79-1
PubChem CID
16134627
SMILES
CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
Canonical SMILES
CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O

Names & Synonyms

  • Dalbavancin
  • dalbavancin B0
  • dalbavancine
  • Dalbavancina
  • Dalvance
  • Zeven
  • dalbavancinum
  • Xydalba
  • Dalbavancin?
  • Dalbavancin HCl
  • VER001
  • RefChem:58427
  • BI397
  • Dalbavancin Hydrochloride
  • Dalbavancin Impurity 24
  • 808UI9MS5K
  • A-A-1
  • UNII-808UI9MS5K
  • VERO001
  • CHEBI:82721
  • UNII-B0U42518WL
  • 171500-79-1
  • VER-001
  • BI 397
  • Dalbavancin [USAN:INN:BAN]
  • B0U42518WL
  • orb1306389
  • CHEMBL3301669
  • MDL 63,397
  • MDL 64,397
  • SCHEMBL22929004
  • SCHEMBL29353532
  • SCHEMBL29696892
  • DTXCID10820716
  • DTXSID80873214
  • J01XA04
  • VER 001
  • BI-397
  • KGPGQDLTDHGEGT-SZUNQUCBSA-N
  • MDL-64397
  • HY-17586A
  • NCGC00420878-02
  • NCGC00420878-03
  • CS-0113796
  • Q5210237
  • BRD-K30177383-001-01-0
  • Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-
  • (2S,3S,4R,5R,6S)-6-(((1R,17R,18S,21S,33R,36R,39S,51R)-14,41-dichloro-21-(3-(dimethylamino)propylcarbamoyl)-17,24,29,42,47-pentahydroxy-51-(methylamino)-19,35,38,52,54,58-hexaoxo-26-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6,12,45-trioxa-20,34,37,53,55,59-hexazaundecacyclo(37.14.2.22,5.213,16.218,33.17,11.128,32.140,44.146,50.09,36.022,27)pentahexaconta-2(65),3,5(64),7(63),8,10,13,15,22(27),23,25,28,30,32(60),40,42,44(57),46,48,50(56),61-henicosaen-63-yl)oxy)-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid
  • (2S,3S,4R,5R,6S)-6-(((3S,15R,18R,34R,35S,38S,48R,50aR)-5,55-dichloro-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-15-(methylamino)-2,16,36,50,51,59-hexaoxo-42-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-1H,15H,34H-3,18:35,48-bis(epiminomethano)-20,23:30,33-dietheno-4,8:10,14:25,28:43,47-tetra(metheno)benzo[14,15][1]oxa[7,17]diazacyclotetracosino[4,5-d][1,14]dioxa[6,22]diazacyclooctacosin-56-yl)oxy)-3,4-dihydroxy-5-(10-methylundecanamido)tetrahydro-2H-pyran-2-carboxylic acid
  • (2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-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-(10-methylundecanoylamino)oxane-2-carboxylic acid
  • 2-Deoxy-1-O-((3S,15R,18R,34R,35S,38S,48R,50aR)-5,31-dichloro-38-((3-(dimethylamino)propyl)carbamoyl)-6,11,34,40,44-pentahydroxy-42-(alpha-D-mannopyranosyloxy)-15-(methylamino)-2,16,36,50,51,59-hexaoxo-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-20,23:30,33-dietheno-3,18:35,48-bis(iminomethano)-1H,15H-4,8:10,14:25,28:43,47-tetrametheno-34H-(1,14,6,22)dioxadiazacyclooctacosino(4,5-m)(10,2,16)benzoxadiazacyclotetracosin-56-yl)-2-((10-methylundecanoyl)amino)-beta-D-glucopyranuronic acid (main component)
  • RISTOMYCIN A AGLYCONE, 5,31-DICHLORO-38-DE(METHOXYCARBONYL)-7-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((10-METHYL-1-OXOUNDECYL)AMINO)-.BETA.-D-GLUCOPYRANURONOSYL)-38-(((3-(DIMETHYLAMINO)PROPYL)AMINO)CARBONYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-N15-METHYL-
  • Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-O-alpha-D-mannopyranosyl-N(sup 15)-methyl-