Synonym
SPK-843; AMCIPATRICIN DIASPARTATE; SPA-S-753; IB-643
IUPAC/Chemical Name
(1R,3S,5S,7R,9R,13R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(((2R,3S,4S,5S,6R)-4-(2-(dimethylamino)acetamido)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-N-(2-(dimethylamino)ethyl)-1,3,5,7,9,13,37-heptahydroxy-17-((2S)-5-hydroxy-7-(4-(methylamino)phenyl)-7-oxoheptan-2-yl)-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide bis(L-aspartate)
InChi Key
HJBVLNMWGIWYNV-POVBORLISA-N
InChi Code
InChI=1S/C67H103N5O19.2C4H7NO4/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45;2*5-2(4(8)9)1-3(6)7/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82);2*2H,1,5H2,(H,6,7)(H,8,9)/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+;;/t42-,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64-,66-,67+;2*2-/m000/s1
SMILES Code
N[C@@H](CC(O)=O)C(O)=O.N[C@@H](CC(O)=O)C(O)=O.[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](NC(=O)CN(C)C)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@]([H])(OC(=O)C[C@H](O)CC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)NCCN(C)C)O2)[C@@H](C)CCC(O)CC(=O)C4=CC=C(NC)C=C4
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
