Micafungin sodium

Basic Information

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CAS Number

208538-73-2

Molecular Formula

C56H70N9NaO23S

Molecular Weight

1168.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@H]2N(C[CH]NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C3)O)[C@@H]([C@H](c1ccc(c(c1)OS(=O)(=O)O)O)O)O)C[C@@H]([C@@H]2O)C

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

LogP

-1.8717099999999864

Topological Polar Surface Area

429.7500000000001 Å²

Hydrogen Bond Donor/Acceptor

14 / 28

Complexity

2580

Synonyms & References

English

Micafungin Sodium
FK 463
Pneumocandin A0, 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-threo
Caspofungin Acetate
L743873
MK0991
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]pneumocandin A0 sodium salt
Mycamine
Sodium;[5-[(1R,2R)-2-[(3R,6R,9R,11S,15R,18R,20S,21S,24R,25R,26R)-3-[(1S)-3-amino-1-hydroxy-3-oxoprop
Micafungin sodium
4-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-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
sodium salt (1:1)

MDL Number

MFCD08067752

FAQ

What are the physical and chemical properties of Micafungin sodium (CAS: 208538-73-2)?

Micafungin sodium is a white to off-white crystalline powder with a molecular weight of approximately 713.79 g/mol. It is sparingly soluble in water and has good solubility in ethanol. Micafungin sodium exhibits low reactivity under normal conditions, making it stable in various pH ranges. It is used in pharmaceutical applications and has a high degree of chemical stability.

How is Micafungin sodium (CAS: 208538-73-2) typically synthesized?

Micafungin sodium is synthesized through a multi-step process involving the condensation of a sugar derivative with an acetylenic alcohol. The reaction typically involves the use of a palladium catalyst to achieve high selectivity and yield. The final product is then neutralized to form the sodium salt.

What industries use Micafungin sodium (CAS: 208538-73-2)?

Micafungin sodium is primarily used in the pharmaceutical industry, where it serves as an antifungal agent. It is also used in the development of diagnostic tools and sensors due to its chemical properties, although on a smaller scale compared to its pharmaceutical applications.

What precautions should be taken when handling Micafungin sodium (CAS: 208538-73-2)?

When handling Micafungin sodium, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up with appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.