7-MAC - ≥98% , CAS No.56610-72-1

CAS: 56610-72-1 Cat. No.: M123025 分子式: C₂₄H₂₄N₆O₄S₂ 分子量: 524.61 EC番号: 611-404-7

グレード＆純度 ≥98%

Synonyms

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R-cis)-|Diphenylmethyl 7beta-amino-7alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylate|benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|Diphenylmethyl (6R,7S)-7-amino-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|Diphenylmethyl 7beta-Amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-3-cephem-4-carboxylate|A-Amino-7|7beta-amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)S-methyl]-3-cephalosporin-en-4-carboxylic acid diphenyl methyl ester|A-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester|(6r,7s)-benzhydryl-7-amino-7-methoxy-3-((1-methyl-1h-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo [4.2.0]oct-2-ene-2-carboxylate|7-MAC|(6R,7S)-BENZHYDRYL 7-AMINO-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE|Diphenylmethyl (6R,7S)-7-Amino-7-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R,7S)-|DIPHENYLMETHYL 7.BETA.-AMINO-7.ALPHA.-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-3-CEPHEM-4-CARBOXYLATE|7beta-Amino-7alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Es

Storage

Room temperature

Shipped In

Normal

仕様

同義語

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R-cis)- | Diphenylmethyl 7beta-amino-7alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylate | benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfany もっと見る

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504767261

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504767261

カノニカル・スマイル

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

IUPAC Name

benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChIKey

QGXKMJVEULWQSB-VWNXMTODSA-N

INCHI

1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1

異性体SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

分子量

524.61

Reaxy-Rn

1097499

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1097499&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Alpha amino acids and derivatives Benzyloxycarbonyls Cephems Alkylarylthioethers 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Azetidines Dialkylthioethers Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Cephem - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid ester - Azetidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 融点（°C）: 120°C
• 分子量: 524.600 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 524.13 Da
• Monoisotopic Mass: 524.13 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 848.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1