Micafungin sodiumProduct ingredient for Micafungin
- Name
- Micafungin sodium
- Drug Entry
- Micafungin
Micafungin is an antifungal drug. It belongs to the antifungal class of compounds known as echinocandins and exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.
- Accession Number
- DBSALT001165
- Structure
Structure for Micafungin sodium (DBSALT001165)
- Synonyms
- Not Available
- UNII
- IS1UP79R56
- CAS Number
- 208538-73-2
- Weight
- Average: 1292.27
Monoisotopic: 1291.420295 - Chemical Formula
- C56H70N9NaO23S
- InChI Key
- KOOAFHGJVIVFMZ-WZPXRXMFSA-M
- 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
- IUPAC Name
- sodium 5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzamido)-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl sulfate
- SMILES
- [Na+].CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1)[C@H](O)CC(N)=O
- External Links
- KEGG Compound
- C15819
- ChemSpider
- 4445652
- ChEBI
- 80105
- ChEMBL
- CHEMBL1237070
- Wikipedia
- Micafungin
- Predicted Properties
Property Value Source Water Solubility 0.215 mg/mL ALOGPS logP 1.1 ALOGPS logP -6.3 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) -2.2 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 22 Chemaxon Hydrogen Donor Count 15 Chemaxon Polar Surface Area 512.97 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 301.95 m3·mol-1 Chemaxon Polarizability 127.44 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon