Cefmenoxime hydrochloride - ≥93% , Bacterial penicillin-binding protein inhibitor, CAS No.75738-58-8, Bacterial penicillin-binding protein inhibitor

CAS: 75738-58-8 Cat. No.: C304566 분자식: C₃₂H₃₄N₁₈O₁₀S₆·HCl 분자량: 1059.58 EC 번호: 278-299-4 PubChem CID: 11954009

GRADE & PURITY ≥93%

Synonyms

C-2471 | CEFMENOXIME HYDROCHLORIDE [JAN] | CEFMENOXIME HYDROCHLORIDE (MART.) | MFCD01750403 | NSC-760352 | Abbott 50192 (HCl) | CEFMENOXIME HYDROCHLORIDE [ORANGE BOOK] | BDBM86672 | Cefmenoxime hemihydrochloride | NON736D32W | SCE-1365 (TAKEDA) (BASE) | (

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

C-2471 | CEFMENOXIME HYDROCHLORIDE [JAN] | CEFMENOXIME HYDROCHLORIDE (MART.) | MFCD01750403 | NSC-760352 | Abbott 50192 (HCl) | CEFMENOXIME HYDROCHLORIDE [ORANGE BOOK] | BDBM86672 | Cefmenoxime hemihydrochloride | NON736D32W | SCE-1365 (TAKEDA) (BASE) | (

사양 및 순도

≥93%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Bacterial penicillin-binding protein inhibitor

순수함

≥93%

이름과 식별자

Pubchem Sid

504766811

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766811

정식 스마일

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

이성체 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

분자량

1059.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO (Slightly, Heated), Methanol (Slightly)
• 녹는점(°C): >175°C (dec.)
• 분자량: 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

XLogP3