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Cefcapene , CAS No.135889-00-8

COA

Grade & Purity:

Moligand™

Cas Number: 135889-00-8
Molecular Weight: 453.49
PubChem CID: 6436055

In stock

Item Number

C346915

Grouped product items
SKU	Size	Availability	Price	Qty
C346915-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$7,125.90

Basic Description

Synonyms	Cefcapene \| cefcapenum \| Flomox (cefcapene pivoxil) \| UNII-4D5D3422MW \| (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid \| Cefcapene (INN) \| AKOS015915643 \|
Specifications & Purity	Moligand™
Shipped In	Normal
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactams
    - Subclass Beta lactams
      - Level5 Cephems
        Level6 Cephalosporins
        Level7 Cephalosporin 3'-carbamates

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactams
Subclass	Beta lactams
Intermediate Tree Nodes	Cephems - Cephalosporins
Direct Parent	Cephalosporin 3'-carbamates
Alternative Parents	N-acyl-alpha amino acids and derivatives 2,4-disubstituted thiazoles N-acyl amines 2-amino-1,3-thiazoles 1,3-thiazines Carbamate esters Heteroaromatic compounds Tertiary carboxylic acid amides Organic carbonic acids and derivatives Azetidines Amino acids Secondary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cephalosporin 3'-carbamate - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - N-acyl-amine - 1,3-thiazol-2-amine - Tertiary carboxylic acid amide - Thiazole - Carbamic acid ester - Azole - Heteroaromatic compound - Amino acid - Carbonic acid derivative - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cephalosporin 3'-carbamates. These are cephalosporins that are substituted at the 3'-position by a carbamate group.
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

Associated Targets(non-human)

Haemophilus influenzae (8812 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
INCHI	InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1
InChIKey	HJJRIJDTIPFROI-NVKITGPLSA-N
Smiles	CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Isomeric SMILES	CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Molecular Weight	453.49
Reaxy-Rn	37816247
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37816247&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	453.500 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	453.078 Da
Monoisotopic Mass	453.078 Da
Topological Polar Surface Area	231.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	831.000
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	1

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