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Substance Name: Micafungin sodium [USAN]
RN: 208538-73-2
UNII: IS1UP79R56
InChIKey: KOOAFHGJVIVFMZ-WZPXRXMFSA-M

Note

  • a cyclic hexapeptide echinocandin lipopeptide

Classification Codes

  • Antifungal
  • Treatment of Aspergillus and Candida Fungal Infections

Molecular Formula

  • C56-H71-N9-O23-S.Na

Molecular Weight

  • 1292.265
 
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Names and Synonyms

Name of Substance

  • FK 463
  • Micafungin sodium [USAN]

Synonyms

  • 5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-((1R)-3-Amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((1R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-((4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoyl)amino)tetracosahydro-1H-dipyrrolo(2,1-c:2',1'-l)(1,4,7,10,13,16)hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl sodium sulfate
  • FK 463
  • FK463
  • Micafungin sodium
  • Mycamine
  • UNII-IS1UP79R56

Systematic Name

  • Pneumocandin A0, 1-((4R,5R)-4,5-dihydroxy-N2-(4-(5-(5-(pentyloxy)phenyl)-3-isoxazolyl)benzoyl)-L-ornithine)-4-((4S)-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)-L-threonine)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 208538-73-2

FDA UNII

  • IS1UP79R56

System Generated Number

  • 0208538732

Molecular Formulas

Molecular Formula

  • C56-H71-N9-O23-S.Na

Molecular Formula Fragments

  • C56-H71-N9-O23-S
  • COMPONENT
  • Na

Structure Descriptors

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

InChIKey

KOOAFHGJVIVFMZ-WZPXRXMFSA-M

Smiles

CCCCCOc1ccc(cc1)c2cc(no2)c3ccc(cc3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=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](c7ccc(c(c7)OS(=O)(=O)[O-])O)O)O)[C@@H](CC(=O)N)O)C)O)O)O.[Na+]