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[CAS No.130308-48-4] A938640 Icatibant 97%

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Catalog No. A938640

Cas No.: 130308-48-4

Molecular Formula: C₅₉H₈₉N₁₉O₁₃S

Molecular Weight: 1,304.52

MDL No: MFCD00213940

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Product Details [130308-48-4]

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Storage: Store in 2-8°C for long term (months)

Pubchem ID: 6918173

Smiles: S1C([H])=C([H])C([H])=C1C([H])([H])[C@@]([H])(C(N([H])[C@@]([H])(C([H])([H])O[H])C(N1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[C@]1([H])C(N1C([H])(C(N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])=O)C([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]12[H])=O)=O)=O)N([H])C(C([H])([H])N([H])C([C@]1([H])C([H])([H])[C@]([H])(C([H])([H])N1C([C@]1([H])C([H])([H])C([H])([H])C([H])([H])N1C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])N([H])C([C@@]([H])(C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])N([H])[H])=O)=O)=O)O[H])=O)=O

Inchi: InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45?,46+/m0/s1

InchiKey: QURWXBZNHXJZBE-OVZQYVDUSA-N

Safety [130308-48-4]

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