Analytenname

Didechloro Vancomycin Hydrochloride (Technical Grade) (Vancomycin Impurity)

Molekularformel

C66H77N9O24 • x(HCl)

Molekulargewicht

1380.4

SMILES

O[C@@H]1[C@@H](O[C@@](O[C@@H](C)[C@H]2O)([H])C[C@@]2(N)C)[C@@H](O[C@H](CO)[C@H]1O)OC3=C(OC4=CC=C([C@H]([C@H]5NC([C@H](NC)CC(C)C)=O)O)C=C4)C=C([C@](NC([C@@H](NC5=O)CC(N)=O)=O)([H])C(N[C@](C6=O)([H])C7=CC=C(O)C8=C7)=O)C=C3OC9=CC=C([C@H]([C@](C(N[C@@](C(O)=O)([H])C%10=CC(O)=CC(O)=C8%10)=O)([H])N6)O)C=C9

InChI

InChI=1S/C66H77N9O24.ClH/c1-25(2)16-36(69-5)58(86)74-49-51(81)27-6-11-32(12-7-27)95-40-18-30-19-41(55(40)99-65-56(54(84)53(83)42(24-76)97-65)98-44-23-66(4,68)57(85)26(3)94-44)96-33-13-8-28(9-14-33)52(82)50-63(91)73-48(64(92)93)35-20-31(77)21-39(79)45(35)34-17-29(10-15-38(34)78)46(60(88)75-50)72-61(89)47(30)71-59(87)37(22-43(67)80)70-62(49)90;/h6-15,17-21,25-26,36-37,42,44,46-54,56-57,65,69,76-79,81-85H,16,22-24,68H2,1-5H3,(H2,67,80)(H,70,90)(H,71,87)(H,72,89)(H,73,91)(H,74,86)(H,75,88)(H,92,93);1H/t26-,36+,37-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-;/m0./s1

IUPAC

(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methylamino)pentanamido)-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid hydrogen chloride.

Abweichende CAS-Nummer

98510-30-6

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat

API-Familie

Vancomycin