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Dalbavancin A0

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Dalbavancin A0

Impurity

CAS Number

171500-81-5

Molecular Formula

C87H98Cl2N10O28

Product format

Neat

Molecular Weight

1802.68

Storage

+5ºC

Shipping

Room Temperature

API Family

Dalbavancin

Synonyms

Dalbavancin A0; 6573SA4HFN; 171500-81-5; UNII-6573SA4HFN; Ristomycin A aglycone, 5, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranuronosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-o-alpha-D-mannopyranosyl-N15-methyl-; Ristomycin A aglycone, 5 and 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-beta-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-alpha-D-mannopyranosyl-N15-methyl-; SCHEMBL30598016; Q27263836

Iupac Name

(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 and 4-dihydroxy-5-(9-methyldecanoylamino)oxane-2-carboxylic acid

InChI

InChI=1S/C87H98Cl2N10O28/c1-37(2)12-9-7-6-8-10-13-60(105)93-69-72(108)74(110)77(85(119)120)127-86(69)126-76-57-30-42-31-58(76)123-54-23-18-41(28-49(54)88)70(106)68-84(118)97-66(79(113)91-24-11-25-99(4)5)47-32-43(101)33-56(124-87-75(111)73(109)71(107)59(36-100)125-87)61(47)46-27-39(16-21-51(46)102)64(81(115)98-68)94-82(116)65(42)95-83(117)67-48-34-45(35-53(104)62(48)89)122-55-29-40(17-22-52(55)103)63(90-3)80(114)92-50(78(112)96-67)26-38-14-19-44(121-57)20-15-38/h14-23,27-35,37,50,59,63-75,77,86-87,90,100-104,106-111H,6-13,24-26,36H2,1-5H3,(H,91,113)(H,92,114)(H,93,105)(H,94,116)(H,95,117)(H,96,112)(H,97,118)(H,98,115)(H,119,120)/t50-,59-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,73+,74+,75+,77+,86-,87+/m1/s1

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7-8 weeks

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8-9 weeks

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8-10 weeks

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