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Substance Name: Dalbavancin [USAN:INN:BAN]
RN: 171500-79-1
UNII: B0U42518WL
InChIKey: KGPGQDLTDHGEGT-SZUNQUCBSA-N

Note

  • Derivative of A-40926; interferes with peptidoglycan synthesis.

Molecular Formula

  • C88-H100-Cl2-N10-O28

Molecular Weight

  • 1816.706
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibiotic

Names and Synonyms

Name of Substance

  • Dalbavancin [USAN:INN:BAN]

Synonyms

  • 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)
  • A-A-1
  • BI 397
  • BI397
  • Dalbavancin
  • Dalvance
  • MDL 63,397
  • MDL 64,397
  • 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-
  • UNII-B0U42518WL
  • VER 001
  • VER001

Systematic Name

  • 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-

Registry Numbers

CAS Registry Number

  • 171500-79-1

FDA UNII

  • B0U42518WL

Other Registry Number

  • 247175-55-9

System Generated Number

  • 0171500791

Structure Descriptors

InChI

1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1

InChIKey

KGPGQDLTDHGEGT-SZUNQUCBSA-N

Smiles

CN[C@H]1C(=O)N[C@@H]2Cc3ccc(Oc4cc5cc(Oc6ccc(cc6Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@@H](NC2=O)c8cc(Oc9cc1ccc9O)cc(O)c8Cl)c%10ccc(O)c(c%10)c%11c(O[C@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)cc(O)cc%11[C@H](NC7=O)C(=O)NCCCN(C)C)c4O[C@@H]%13O[C@@H]([C@@H](O)[C@H](O)[C@H]%13NC(=O)CCCCCCCCC(C)C)C(=O)O)cc3