DESMETHYL MICAFUNGIN
On Request
Molecular Formula
C55H68N9NaO23S
Molecular Weight
1278.2000
CAS Number
1392513-99-3
PubChem CID
138617700 ↗
IUPAC Name
Sodium 5-[(1S,2S)-2-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(R)-3-amino-1-hydroxy-3-oxopropyl]-2,11,12,15-tetrahydroxy-6-[(R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxo-9-(4-{5-[4-(pentyloxy)phenyl]isoxazol-3-yl}benzamido)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l] [1,4,7,10,13,16]hexaazacyclohenicosin-23-yl}-1,2-dihydroxyethyl]-2-hydroxyphenyl sulfate
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📝 Synonyms
1392514-03-2
Desmethyl Micafungin Sodium salt
UHV9M4L7KH
Desmethyl Micafungin Sodium
Desmethyl Micafungin (Na Salt)
SCHEMBL20982028
Micafungin Impurity 14 Sodium Salt
Pneumocandin B0, 1-[(4R,5R)-4,5-dihydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-, sodium salt (1:1)
🔬 Chemical Identifiers
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H](CCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)[O-])O)O)[C@@H](CC(=O)N)O)O)O)O.[Na+]
InChI=1S/C55H69N9O23S.Na/c1-3-4-5-18-85-31-13-10-27(11-14-31)39-22-32(62-86-39)26-6-8-28(9-7-26)48(74)57-33-21-38(70)51(77)61-53(79)45-36(68)16-17-63(45)55(81)43(37(69)23-41(56)71)59-52(78)44(47(73)46(72)29-12-15-35(67)40(19-29)87-88(82,83)84)60-50(76)34-20-30(66)24-64(34)54(80)42(25(2)65)58-49(33)75;/h6-15,19,22,25,30,33-34,36-38,42-47,51,65-70,72-73,77H,3-5,16-18,20-21,23-24H2,1-2H3,(H2,56,71)(H,57,74)(H,58,75)(H,59,78)(H,60,76)(H,61,79)(H,82,83,84);/q;+1/p-1/t25-,30-,33+,34+,36+,37-,38-,42+,43+,44+,45+,46+,47+,51-;/m1./s1
QOUYMHYNKRNKKM-REOTUNPJSA-M
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