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22252-43-3

Basic Information
CAS No.: 22252-43-3
Name: 7-Amino-3-methyl-3-cephem-4-carboxylic acid
Article Data: 19
Molecular Structure:
Molecular Structure of 22252-43-3 (7-Amino-3-methyl-3-cephem-4-carboxylic acid)
Formula: C8H10N2O3S
Molecular Weight: 214.245
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo- (7CI,8CI);3-Methyl-7-amino-D3-cephem-4-carboxylic acid;3-Methyl-7-aminoceph-3-em-4-carboxylic acid;7-ADCA;7-Amino-3-desacetoxycephalosporanicacid;7-Amino-3-methyl-D3-cephem-4-carboxylicacid;7-Aminodeacetoxycephalosporanic acid;Deacetoxycephalosporanic acid;
EINECS: 244-870-1
Density: 1.59 g/cm3
Melting Point: 234°C (dec.)
Boiling Point: 517.6 °C at 760 mmHg
Flash Point: 266.8 °C
Solubility: Soluble in water (partly), 1M ammonium hydroxide (50 mg/ml), and DMSO (Sparingly).
Appearance: off-white powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-42/43-36/37/38
Safety: 36-26
PSA: 108.93000
LogP: 0.22560
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    BOC Sciences is committed to supplying cost-effective products and services. We provide Cefadroxil Impurity B (7-ADCA). A metabolite of Cephalexin More information please visit: www.bocsci.com/cefadroxil-impurity-b-7-adca-cas-22252-43-3-item-468269

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  • Cephalexin EP Impurity B

  • Casno:

    22252-43-3

    Cephalexin EP Impurity B

    Min.Order: 10 Milligram

    FOB Price:  USD $ 10.0-20.0

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  •  Guangzhou Lanning Biotechnology Co., Ltd

     China (Mainland)  |  Contact Details

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    Address:Room F604, Zone F, Guangzhou International Business incubator, No. 3, Ranyue Road, Science City, Huangpu District, Guangzhou

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  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, (6R,7R)-

  • Casno:

    22252-43-3

    5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, (6R,7R)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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  •  Antimex Chemical Limied

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Specification

The 7-Aminodesacetoxycephalosporanic acid, with the CAS registry number 22252-43-3, has the IUPAC name of 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. For being a kind of white to yellowish crystalline powder, it is incompatible with strong oxidizing agents. And its product categories are including Various Metabolites and Impurities; Antibiotics for Research and Experimental Use; beta-Lactams (Antibiotics for Research and Experimental Use); Biochemistry; Intermediates & Fine Chemicals; Metabolites & Impurities. As to its usage, it is usually applied as the pharmaceutic intermediate, such as the metabolite of Cephalexin.

The physical properties of this chemical are as follows: (1)ACD/LogP: -0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.13; (4)ACD/LogD (pH 7.4): -4.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.15; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 51.69 cm3; (15)Molar Volume: 134 cm3; (16)Polarizability: 20.49 ×10-24 cm3; (17)Surface Tension: 81.7 dyne/cm; (18)Density: 1.59 g/cm3; (19)Flash Point: 266.8 °C; (20)Enthalpy of Vaporization: 86.44 kJ/mol; (21)Boiling Point: 517.6 °C at 760 mmHg; (22)Vapour Pressure: 4.18E-12 mmHg at 25°C; (23)Exact Mass: 214.041213; (24)MonoIsotopic Mass: 214.041213; (25)Topological Polar Surface Area: 109; (26)Heavy Atom Count: 14; (27)Complexity: 353.

When you are dealing with this chemical, you should be careful. For being a kind of harmful chemical, it may cause damage to health. This chemical is irritating to eyes, respiratory system and skin and may cause sensitization by inhalation and skin contact. If by inhalation, in contact with skin and if swallowed, it will harmful. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC1=C(N2C(C(C2=O)N)SC1)C(=O)O
(2)InChI: 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)
(3)InChIKey: NVIAYEIXYQCDAN-UHFFFAOYSA-N