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Cefozopran hydrochloride - 10mM in DMSO, high purity , CAS No.113981-44-5

COA

Grade & Purity:

10mM in DMSO

Cas Number: 113981-44-5
Molecular Weight: 552
PubChem CID: 9690120

In stock

Item Number

C420701

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SKU	Size	Availability	Price	Qty
C420701-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

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Basic Description

Synonyms	Cefozopran hydrochloride \| Firstcin \| 113981-44-5 \| Cefozopran (hydrochloride) \| CEFOZOPRAN HCL \| 060I5C0GRC \| Cefozopran monohydrochloride \| Cefozopranhydrochloride \| SCE-2787 hydrochloride \| UNII-060I5C0GRC \| SCE-2787.HCl \| SCHEMBL1229838 \| SCHEMBL9286286 \| HY-B0771A \| (6R,7R)-7-[
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Cefozopran Hydrochloride is the hydrochloride salt form of cefozopran, a semi-synthetic, broad-spectrum, fourth-generation cephalosporin with antibacterial activity.

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 1,3-thiazines Pyridazines and derivatives N-substituted imidazoles Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Primary amines Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic chloride salts
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - N-substituted imidazole - Pyridazine - Heteroaromatic compound - Azole - Imidazole - Thiadiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Thioether - Carboxylic acid - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Carbonyl group - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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

Product Properties

ALogP	-1.752
hba_count	7
HBD Count	2
Rotatable Bond	7

Names and Identifiers

IUPAC Name	(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
INCHI	InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1
InChIKey	NTJHUKMPVIFDNY-XFDPNJHTSA-N
Smiles	CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
Isomeric SMILES	CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
Molecular Weight	552
Reaxy-Rn	20563506
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20563506&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	181.163844363446
Water(mg / mL) Max Solubility	-1
Water(mM) Max Solubility	-1.81163844363446
Molecular Weight	552.000 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	551.056 Da
Monoisotopic Mass	551.056 Da
Topological Polar Surface Area	238.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	959.000
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	2

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