Cefcanel Daloxate
Basic information
- CAS
97275-40-6- Standard SMILES
Cc1nnc(SCC2=C(C(=O)OCc3oc(=O)oc3C)N3C(=O)[C@@H](NC(=O)[C@H](OC(=O)[C@H](C)N)c4ccccc4)[C@H]3SC2)s1- InChIKey
AMMYEZPDRKXESR-XHSUIHOPSA-N- Molecular formula
- C27H27N5O9S3
- Average molar mass
- 661.7 g/mol
- Monoisotopic mass
- 661.09709098
Overview
Cefcanel daloxate is a small molecule drug. Cefcanel daloxate has a monoisotopic molecular weight of 661.1 Da.
Names & identifiers
- Preferred name
- Cefcanel Daloxate
- IUPAC
- (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- English name
- Cefcanel
- Molecular formula
- C27H27N5O9S3
- Molecular weight
- 661.73
Names & synonyms
Cefcanel daloxate97275-40-6Cefcanel daloxatoCefcanelum daloxatumD9693UHF82L-Alanine, 2-((2-(((5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy)carbonyl)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxo-1-phenylethyl ester, monohydrochloride, (6R-(6alpha,7beta(R*)))-KY-109DTXSID10242838RefChem:124211DTXCID40165329Cefcanel daloxate [INN](5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-[(2S)-2-aminopropanoyl]oxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Show more names
L-Alanine, (1R)-2-[[(6R,7R)-2-[[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]carbonyl]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-2-oxo-1-phenylethyl ester
UNII-D9693UHF82Cefcanel daloxato [INN-Spanish]Cefcanelum daloxatum [INN-Latin]orb1703620SCHEMBL1230536CEFCANEL DALOXATE [MART.]CEFCANEL DALOXATE [WHO-DD]AKOS040745658
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,260
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 11.1 · 11.10±0.60(Predicted)
- FDA UNII
- 9693 UHF82 · D9693UHF82
Chemistry & industry
Applications
UsesCefcanel Daloxate is a bactericide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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