Sodium Morrhuate
Basic information
- CAS
64953-12-4- Standard SMILES
COC1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)COC21.[Na+].[Na+]- InChIKey
GRIXGZQULWMCLU-UHFFFAOYSA-L- Molecular formula
- C20H18N6Na2O9S
- Average molar mass
- 564.4 g/mol
- Monoisotopic mass
- 564.06513591
Overview
The sodium salts of the fatty acids in cod liver oil; an irritant and sclerosing agent used to treat varicose veins and arthritic joints.
Names & identifiers
- Preferred name
- Sodium Morrhuate
- IUPAC
- disodium;7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- English name
- Latamoxef sodium
- Molecular formula
- C20H21N6NaO9S
- Molecular weight
- 544.47
Names & synonyms
morruato de sodioMorrhuate, SodiumSodium, Morrhuate8031-09-2RefChem:183989DTXSID901057205652U49DZTPMorrhuate de sodiumMorrhuate SodiumMorrhuate sodium (USP)Natrii morrhuasSodium Morrhuate
Show more names
6059smoxamS 6059ly127935LY 12735HY-B1484ShiomarinFestamoxinFestamoxinLyShionogi 6059S
latamoxef sodium64953-12-4Moxalactam sodium saltSCHEMBL7193337-[[Carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.o]oct-2-ene-2-carboxylic acid, disodium salts4986AKOS040758971PD117912
Database identifiers
- CAS
64953-12-4、8031-09-2- PubChem CID
- 47500
- ChEMBL
CHEMBL2109139
Properties
Computed structural properties
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 947
Physicochemical properties
- Melting point
- 156 oC · >156oC (dec.)
- alpha
- 22 · D22 -45° (water)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Methanol (Slightly)
- form
- White to Pale Yellow
- color
- White to off-white
- Merck
- 13 · 13,6311
- Stability
- Unstable in solution (DMSO or Methanol)
- Major Application
- forensics and toxicologyveterinary
- InChIKey
- GRIXGZQULWMCLU-GDUWRUPCSA-L
- SMILES
- N([C@@]1(C(=O)N2C(=C(CSC3=NN=NN3C)CO[C@]12[H])C(=O)O)OC)C(=O)[C@@H](C1C=CC(O)=CC=1)C(=O)O.[NaH] |&1:1,17,26,r|
- FDA UNII
- 5 APW73W3QZ · 5APW73W3QZ
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, disodium salt: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 2
- rtecs
- RN6824000
- risk_code
- 42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36/37-45
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H334
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
- Precautionary statements
- P261-P280-P342+P311
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemical agents injected into blood vessels and lymphatic sinuses to shrink or cause localized THROMBOSIS; FIBROSIS, and obliteration of the vessels. This treatment is applied in a number of conditions such as VARICOSE VEINS; HEMORRHOIDS; GASTRIC VARICES; ESOPHAGEAL VARICES; PEPTIC ULCER HEMORRHAGE.
Applications
DescriptionLatamoxef was synthesized by Shionogi Pharmaceuticals in 1975 starting with benzylpenicillin and using a novel drug design. The oxacephem nucleus, in which the sulfur atom had been replaced by oxygen, was substituted with a methoxyl group at the 7α position, as in the cephamycins. A carboxyl moiety and a hydroxybenzyl group were added at the 7β position, as in carbenicillin, and a methyltetrazolylthiomethyl group was attached at the 3 position. These substitutions resulted in a strong activity against gram-negative bacteria and a high resistance to the action of βlactamase, along with excellent activity against Pseudomonas aeruginosa, even though the compound has no activity against Staphylococcus aureus.
UsesMoxalactam Sodium is an oxacephem antibiotic. Moxalactam Sodium is more effective against Escherichia coli and Pseudomonas aeruginosa than cephalosporins.
UsesAntibacterial;Bacterial transpeptidase inhibitor
Upstream & downstream products
Upstream raw materials
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