Drug Product Composition data of Mupirocin Calcium on PharmaCompass.com

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Chemistry

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Also known as:
Molecular Formula
C52H92CaO20+2
Molecular Weight
1077.4  g/mol
InChI Key
DDHVILIIHBIMQU-DFAKSDJVSA-N

Mupirocin Calcium
1 2D Structure

Mupirocin Calcium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;9-[(E)-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid;dihydrate
2.1.2 InChI
InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/b2*16-13+;;;
2.1.3 InChI Key
DDHVILIIHBIMQU-DFAKSDJVSA-N
2.1.4 Canonical SMILES
CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O.CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O.O.O.[Ca+2]
2.1.5 Isomeric SMILES
CC(C(O)C)C1OC1CC2C(C(C(OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)O)O.CC(C(O)C)C1OC1CC2C(C(C(OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)O)O.O.O.[Ca+2]
2.2 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 1077.4 g/mol
Molecular Formula C52H92CaO20+2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count20
Rotatable Bond Count34
Exact Mass1076.5807862 g/mol
Monoisotopic Mass1076.5807862 g/mol
Topological Polar Surface Area294 Ų
Heavy Atom Count73
Formal Charge2
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5

API Reference Price

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30-Jan-2021
19-Jul-2024
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DOSAGE - OINTMENT;NASAL - EQ 2% BASE

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