Micafungin-d11 Sodium

Product Name Micafungin-d11 Sodium
Alternate Names Micafungin Stable Isotopes, Stable Isotopes of Micafungin
CAT No. CS-T-93448
CAS No. 208538-73-2 (Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 1303.32 g/mol
Mol. For. C56H59D11N9NaO23S
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Micafungin
Smileys O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC(O[S](=O)([O-])=O)=C(O)C=C3)O)=O)([H])[C@H](O)CC(N)=O)N4[C@@](C(N[C@@H]([C@@H](C[C@@H](C(NC2[C@H](O)C)=O)NC(C5=CC=C(C6=NOC(C7=CC=C(OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C=C7)=C6)C=C5)=O)O)O)=O)([H])[C@@H](O)[C@@H](C)C4.[Na+]
Canonical Smiles CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)[O-])O)O)C(CC(=O)N)O)C)O)O)O.[Na+]
InchIKey KOOAFHGJVIVFMZ-WZPXRXMFSA-M
Inchl InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1
IUPAC sodium;[5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] sulfate
Controlled No
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Related Compounds

Micafungin-D11 Sodium salt |

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