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PI-41691 Dalbavancin (171500-79-1) New

PI-41691 Dalbavancin (171500-79-1)

Catalog No.: PI-41691
Synonym:
Molecular Formula: C88H100Cl2N10O28
Molecular Weight: 1816.69
CAS Number: 171500-79-1
MDL Number: MFCD09837770

 

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Properties & Safety

Appearance: White to off white to yellow powder
Purity: 90.0%
Freezing/Melting Point:
Boiling Point:
Flash Point:
Density:
nD20:
EINECS:
RTECS:
UN: not hazardous for delivery
Beilatein:
HTS:
TSCA Inventory:
Storage: −20°C
Inchikey: NECNEVHRBQBTTH-SOWMDMGUSA-N
SMILES: O=C([C@@]1([H])NC([C@](C2)([H])NC([C@@H](C3=CC(OC4=CC1=C(Cl)C(O)=C4)=C(O)C=C3)NC)=O)=O)N[C@@](C5=CC(OC6=CC=C2C=C6)=C(O[C@H]7[C@H](NC(CCCCCCCCC(C)C)=O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)C(OC8=C(Cl)C=C([C@@]9([H])O)C=C8)=C5)([H])C(N[C@@]%10([H])C(N[C@]9([H])
InChl: 1S/C88H100Cl2N10O28/c1-38(2)13-10-8-7-9-11-14-61(106)93-69-73(109)75(111)78(86(120)121)128-87(69)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)68-84(118)97-66(80(114)91-25-12-26-99(3)4)4

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