MUPIROCIN CALCIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: Salt
UNII: RG38I2P540
Parent Compound: MUPIROCIN

Structure
InChI Key HAXVBVDETFUQGV-LNQHITRNSA-L
Smile C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.[Ca+2]
InChI
InChI=1S/2C26H44O9.Ca/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);/q;;+2/p-2/b2*16-13+;/t2*17-,18-,19-,20-,21-,24+,25-,26-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C52H90CaO20
Molecular Weight 1075.35
AlogP 2.59
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 16.0
Polar Surface Area 146.05
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Isoleucyl-tRNA synthetase inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Wounds and Injuries 3 D014947 ClinicalTrials
Staphylococcal Infections 2 D013203 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
28.43
General disorders and administration site conditions
21.51
Skin and subcutaneous tissue disorders
10.44
Gastrointestinal disorders
6.28
Product issues
5.96
Infections and infestations
5.54
Respiratory, thoracic and mediastinal disorders
5.54
Nervous system disorders
3.94
Vascular disorders
2.66
Immune system disorders
2.24

Cross References

Resources Reference
ChEBI 34858
ChEMBL CHEMBL3989715
FDA SRS RG38I2P540
PubChem 5282317
SureChEMBL SCHEMBL198151
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