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 Formule: C₃₂H₃₄N₁₈O₁₀S₆·HCl Poids moléculaire: 1059.58 Numéro CE: 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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Bacterial penicillin-binding protein inhibitor

Noms et identifiants

Pubchem Sid

528773813

Sourires canoniques

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

Isomères 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

Poids moléculaire

1059.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Propriétés chimiques et physiques

• Point de fusion (°C): >175°C (dec.)
• Poids moléculaire: 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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