Micafungin Sodium 10mg

CAT: 0628-A14246-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A14246-10Size:10 mg

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CAS Number

208538-73-2

Chemical Information

Micafungin Sodium

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

CAS Number	208538-73-2
PubChem CID	23666118
IUPAC Name	sodium [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 Formula	C56H70N9NaO23S
Molecular Weight	1292.3
Topological Polar Surface Area	521
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	18
Heavy Atom Count	90
Formal Charge	0
Complexity	2580

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

CAS: 208538-73-2

CID: 23666118

Formula: C56H70N9NaO23S

MW: 1292.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1292.3
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	18
Exact Mass	1291.42029497
Monoisotopic Mass	1291.42029497
Topological Polar Surface Area	521 Å²
Heavy Atom Count	90
Formal Charge	0
Complexity	2580
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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A3606-10	Micafungin sodium
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Micafungin Sodium 10mg

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