Mupirocin lithium
PubChem CID
71311795
Structure
Chemical Safety
Molecular Formula
Synonyms
- mupirocin lithium
- 73346-79-9
- Lithium mupirocin
- Mupirocin (lithium)
- lithium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate
Molecular Weight
506.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2013-05-17
- Modify:2024-12-07
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, too flexible, mixture or salt
lithium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C26H44O9.Li/c1-16(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;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21-,24+,25-,26-;/m0./s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XFIKMPRBSORKQP-JATHGWPISA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
[Li+].C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)[C@H](C)O
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C26H43LiO9
Computed by PubChem 2.2 (PubChem release 2021.10.14)
73346-79-9
- mupirocin lithium
- 73346-79-9
- Lithium mupirocin
- Mupirocin (lithium)
- lithium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate
- Lithium 9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoate
- Mupirocin Lithium; BRL-4910B; Bactroban related
- BRL-4910A;Pseudomonic acid
- SCHEMBL1537257
- DTXSID50746663
- XFIKMPRBSORKQP-JATHGWPISA-M
- LITHIUM(1+) 9-{[(2E)-4-[(2S,3R,4R,5S)-3,4-DIHYDROXY-5-{[(2S,3S)-3-[(2S,3S)-3-HYDROXYBUTAN-2-YL]OXIRAN-2-YL]METHYL}OXAN-2-YL]-3-METHYLBUT-2-ENOYL]OXY}NONANOATE
- YCA34679
- AKOS027276158
- HY-W108875
- Lithium mupirocin, >=95.0% (HPLC)
- BS-17476
- DA-75039
- CS-0162433
- Lithium mupirocin Supplement, for microbiology
- D70855
- Mupirocin lithium, British Pharmacopoeia (BP) Reference Standard
- Mupirocin lithium, European Pharmacopoeia (EP) Reference Standard
- Mupirocin lithium, United States Pharmacopeia (USP) Reference Standard
- Lithium 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate
- Lithium9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
506.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
17
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
506.30671138 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
506.30671138 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
149Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
36
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
701
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
8
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Pictogram(s)
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
ECHA C&L Notifications Summary
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Skin Sens. 1 (100%)
- EPA DSSToxLithium 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enoyl}oxy)nonanoatehttps://comptox.epa.gov/dashboard/DTXSID50746663CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice2S-[2ALPHA(E),3BETA,4BETA,5ALPHA[2R,3R,(1R,2R)]]]-9-[[3-METHYL-1-OXO-4-[TETRAHYDRO-3,4-DIHYDROXY-5-[[3-(2- HYDROXY-1-METHYLPROPYL)OXIRANYL]METHYL]-2H-PYRAN-2-YL]-2-BUTENYL]OXY]NONANOIC ACID MONOLITHIUM SALThttps://echa.europa.eu/substance-information/-/substanceinfo/100.249.1052S-[2ALPHA(E),3BETA,4BETA,5ALPHA[2R,3R,(1R,2R)]]]-9-[[3-METHYL-1-OXO-4-[TETRAHYDRO-3,4-DIHYDROXY-5-[[3-(2- HYDROXY-1-METHYLPROPYL)OXIRANYL]METHYL]-2H-PYRAN-2-YL]-2-BUTENYL]OXY]NONANOIC ACID MONOLITHIUM SALT (EC: 815-147-3)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/256673
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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