CAS Number22252-43-3
Synonyms(6R,7R)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; MFCD00151456; EINECS 244-870-1; 7beta-aminodeacetoxycephalosporanic acid; 7-Aminodesacetoxycephalosporanic acid; 7-ADCA
Molecular FormulaC8H10N2O3S
Molecular Weight214.24
Purity98%
Density1.6±0.1 g/cm3
Boiling Point517.6±50.0 °C at 760 mmHg
Melting Point234ºC (dec.)
Appearancepowder or crystals
EINECS244-870-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 22252-43-3 |
| Catalog No. | 2A-9006912 |
| Chinese Name | 7-氨基去乙酰氧基头孢烷酸 |
| Synonyms | (6R,7R)-7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; MFCD00151456; EINECS 244-870-1; 7beta-aminodeacetoxycephalosporanic acid; 7-Aminodesacetoxycephalosporanic acid; 7-ADCA |
| Molecular Formula | C8H10N2O3S |
| Molecular Weight | 214.24 |
| Purity | 98 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 517.6±50.0 °C at 760 mmHg |
| Melting Point | 234ºC (dec.) |
| Appearance | powder or crystals |
| Storage Condition | 2-8℃ |
| Application | 7-Aminodeacetoxycephalosporanic acid (7-ADCA) is a key intermediate in the synthesis of cephalosporins. |
| EINECS | 244-870-1 |
| PubChem ID | 24891339 |
| MDL Number | MFCD09750368 |
| SMILES | CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(O)=O |
| InChI | 1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1 |
| InChI Key | NVIAYEIXYQCDAN-CLZZGJSISA-N |
| NACRES Code | NA.85 |
| UNSPSC | 51102829 |
| Hazard Symbols | Transport |
| MSDS | msds/6912_1_22252_43_3.pdf |
| Bioactivity | 7-Aminodeacetoxycephalosporanic acid (7-ADCA) is a key intermediate in the synthesis of cephalosporins[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Linda G Otten, et al. Mutational Analysis of a Key Residue in the Substrate Specificity of a Cephalosporin Acylase. Chembiochem. 2004 Jun 7;5(6):820-5. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 517.6±50.0 °C at 760 mmHg Melting Point 234ºC (dec.) Molecular Formula C8H10N2O3S Molecular Weight 214.242 Flash Point 266.8±30.1 °C Exact Mass 214.041214 PSA 108.93000 LogP -0.81 Vapour Pressure 0.0±2.9 mmHg at 25°C Index of Refraction 1.698 InChIKey NVIAYEIXYQCDAN-CLZZGJSISA-N SMILES CC1=C(C(=O)O)N2C(=O)C(N)C2SC1 Storage condition 2-8°C Stability Stable. Incompatible with strong oxidizing agents. |
| Use of | 7-Aminodeacetoxycephalosporanic acid (7-ADCA) is a key intermediate in the synthesis of cephalosporins[1]. Properties Articles27 Name 7β-aminodeacetoxycephalosporanic acid Synonym More Synonyms 7-Aminodeacetoxycephalosporanic acid Biological Activity Description 7-Aminodeacetoxycephalosporanic acid (7-ADCA) is a key intermediate in the synthesis of cephalosporins[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Linda G Otten, et al. Mutational Analysis of a Key Residue in the Substrate Specificity of a Cephalosporin Acylase. Chembiochem. 2004 Jun 7;5(6):820-5. Chemical & Physical Properties Molecular Formula C8H10N2O3S Exact Mass 214.041214 PSA 108.93000 LogP -0.81 Index of Refraction 1.698 InChIKey NVIAYEIXYQCDAN-CLZZGJSISA-N Stability Stable. Incompatible with strong oxidizing agents. |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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