Cefodizime sodium - ≥98% , CAS No.86329-79-5

CAS: 86329-79-5 Cat. No.: C304786 분자식: C₂₀H₁₈N₆Na₂O₇S₄ 분자량: 628.63 EC 번호: 617-833-6 PubChem CID: 9852176

등급 & 순도 ≥98%

Synonyms

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-, disodium salt, (6R,7R)- | N-T-BOC-L-ARGININE | AS-82212 | 5-THIA-1-AZABICYCLO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-, disodium salt, (6R,7R)- | N-T-BOC-L-ARGININE | AS-82212 | 5-THIA-1-AZABICYCLO

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

488196364

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196364

정식 스마일

CC1=C(SC(=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-])CC(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxylatomethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChIKey

WBOBLQIRACJNPA-AEKYOGSZSA-L

INCHI

1S/C20H20N6O7S4.2Na/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9;;/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32);;/q;2*+1/p-2/b25-12-;;/t13-,17-;;/m1../s1

이성체 SMILES

CC1=C(SC(=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-])CC(=O)[O-].[Na+].[Na+]

PubChem CID

9852176

분자량

628.63

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 2,4,5-trisubstituted thiazoles 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Primary amines Organic sodium salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic salt - Amine - Organic zwitterion - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic sodium salt - 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: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 628.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 627.992 Da
• Monoisotopic Mass: 627.992 Da
• Topological Polar Surface Area: 310.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 1020.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3