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ceftizoxime alapivoxil , CAS No.135821-54-4

COA

Grade & Purity:

Moligand™

Cas Number: 135821-54-4
Molecular Weight: 568.62
PubChem CID: 9578661

In stock

Item Number

C608464

Grouped product items
SKU	Size	Availability	Price	Qty
C608464-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
C608464-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,600.90

Basic Description

Synonyms	2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate \| Ceftizoxime alapivoxil [INN] \| (+)-(Pivaloyloxy)methyl (6R,7R)-7-(2
Specifications & Purity	Moligand™
Grade	Moligand™

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 Alpha amino acid amides Alanine and derivatives N-arylamides 2,4-disubstituted thiazoles Acylals 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Azetidines Acetals Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Organopnictogen compounds Monoalkylamines Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - N-arylamide - 2,4-disubstituted 1,3-thiazole - Acylal - Meta-thiazine - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Acetal - Dialkylthioether - Hemithioaminal - Thioether - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - 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	Not available
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

Names and Identifiers

IUPAC Name	2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
INCHI	InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/b27-13-/t10-,14+,18+/m0/s1
InChIKey	VOPANQNVVCPHQR-IVVGYLHBSA-N
Smiles	CC(C(=O)NC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N
Isomeric SMILES	C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)N
PubChem CID	9578661
Molecular Weight	568.62

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	568.600 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	12
Exact Mass	568.141 Da
Monoisotopic Mass	568.141 Da
Topological Polar Surface Area	245.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1050.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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	1

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