Cefmenoxime hydrochloride - 10mM in DMSO , Bacterial penicillin-binding protein inhibitor, CAS No.75738-58-8, Bacterial penicillin-binding protein inhibitor

CAS: 75738-58-8 Cat. No.: C425855 Molecular Weight: 1059.58 EC Number: 278-299-4 PubChem CID: 11954009

GRADE & PURITY 10mM in DMSO

Synonyms

Cefmenoxime hydrochloride|Cefmenoxime HCl|75738-58-8|Cefmax|SCE 1365 hydrochloride|Cefmenoxime hemihydrochloride|UNII-NON736D32W|AB 50912 hemihydrochloride|Tacef|NON736D32W|DTXSID0046646|Abbott-50192|EINECS 278-299-4|NSC-760352|DTXCID8026646|CHEBI:31370|S

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Cefmenoxime hydrochloride | Cefmenoxime HCl | 75738-58-8 | Cefmax | SCE 1365 hydrochloride | Cefmenoxime hemihydrochloride | UNII-NON736D32W | AB 50912 hemihydrochloride | Tacef | NON736D32W | DTXSID0046646 | Abbott-50192 | EINECS 278-299-4 | NSC-760352 | DTXCID8026646 | CHEBI:31370 | S

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Bacterial penicillin-binding protein inhibitor

Names and Identifiers

• Canonical Smiles: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.Cl
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
• InChIKey: MPTNDTIREFCQLK-UNVJPQNDSA-N
• INCHI: 1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
• Isomeric SMILES: CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.Cl
• PubChem CID: 11954009
• Molecular Weight: 1059.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams
        • Level5 Cephems
          • Level6 Cephalosporins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Cephems
• Direct Parent: Cephalosporins
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alkylarylthioethers 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Isothioureas Amino acids Azetidines Secondary carboxylic acid amides Carboximidic acids Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Not available
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Isothiourea - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Dialkylthioether - Carboximidic acid - Monocarboxylic acid or derivatives - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Hydrochloride - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
• External Descriptors: hydrochloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): >175°C (dec.)
• Molecular Weight: 1059.600 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 16
• Exact Mass: 1058.08 Da
• Monoisotopic Mass: 1058.08 Da
• Topological Polar Surface Area: 539.000 Ų
• Heavy Atom Count: 67
• Formal Charge: 0
• Complexity: 890.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

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