Alternate Names A-A 1; BI 397; Dalbavancin B0; MDL 63397; VER 001; 5,31-Dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-[2-deoxy-2-[(10-methyl-1-oxoundecyl)amino]-β-D-glucopyranuronosyl]-38-[[[3-(dimethylamino)propyl]amino]carbonyl]-42-O-α-D-mannopyranosyl-N15-methyl-Ristomycin A aglycone
Appearance White to yellow solid
CAS # 171500-79-1
Molecular Formula C₈₈H₁₀₀Cl₂N₁₀O₂₈
Molecular Weight 1816.69
Purity ≥ 90%
Solubility DMSO
SMILES CC(C)CCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=CC(=CC(=C7C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C9C1=CC(=CC(=C1Cl)O)OC1=C(C=CC(=C1)C(C(=O)NC(CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
InChi 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
InChi Key KGPGQDLTDHGEGT-SZUNQUCBSA-N
PubChem CID 16134627
Storage Conditions -20°C
Shipping Conditions Gel Pack
Usage For Research Use Only! Not For Use in Humans.
Handling Do not take it internally. Wear a glove and mask when handling the product. Protect from air and moisture.
