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Micafungin sodium salt

CAT: 0063-90018638-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0063-90018638-25mgSize:25 mg
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CAS Number
208538-73-2
Molecular Formula
C56H70N9NaO23S
Molecular Weight
1292.26
Formulation
C56H70N9NaO23S

Chemical Information

Micafungin Sodium

Micafungin sodium is an organic sodium salt and an antibiotic antifungal drug.

CAS Number208538-73-2
PubChem CID23666118
IUPAC Namesodium [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
Molecular FormulaC56H70N9NaO23S
Molecular Weight1292.3
Topological Polar Surface Area521
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count24
Rotatable Bond Count18
Heavy Atom Count90
Formal Charge0
Complexity2580
SMILES
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]([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](C7=CC(=C(C=C7)O)OS(=O)(=O)[O-])O)O)[C@@H](CC(=O)N)O)C)O)O)O.[Na+]
InChI
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
Chemical Structure
2D Structure
2D structure of Micafungin Sodium
CAS: 208538-73-2
CID: 23666118
Formula: C56H70N9NaO23S
MW: 1292.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1292.3
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count24
Rotatable Bond Count18
Exact Mass1291.42029497
Monoisotopic Mass1291.42029497
Topological Polar Surface Area521 Ų
Heavy Atom Count90
Formal Charge0
Complexity2580
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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AR-M00988-01Micafungin Sodium Salt
A3606-10Micafungin sodium
HY-16321-01Micafungin (sodium)

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