Synonym
Mipsagargin trifluoroacetate; Y6NN6U0WW6; UNII-Y6NN6U0WW6; 1627852-87-2
IUPAC/Chemical Name
(3S,8S,13S,18S,21S)-36-(((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(((Z)-2-methylbut-2-enoyl)oxy)-7-(octanoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-4-yl)oxy)-21-amino-5,10,15,20,23,36-hexaoxo-4,9,14,19,24-pentaazahexatriacontane-1,3,8,13,18-pentacarboxylic acid--2,2,2-trifluoroacetic acid (1/1)
InChi Key
OGVQREZBFFUDOI-GPQWSCTHSA-N
InChi Code
InChI=1S/C66H100N6O27.C2HF3O2/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79;3-2(4,5)1(6)7/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90);(H,6,7)/b36-9-;/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+;/m0./s1
SMILES Code
OC(=O)C(F)(F)F.[H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@](C)(OC(C)=O)[C@@]3([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C23)OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
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
