CAS Number58001-44-8
SynonymsAcide clavulanique; Acid clavulanico; (2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; acidum clavulanicum; Clavulansaeure; EINECS 261-069-2; CLAVULANIC ACID; Clavulanate; Sodium Clavulanate
Molecular FormulaC8H9NO5
Molecular Weight199.16
Purity95%
Density1.7±0.1 g/cm3
Boiling Point545.8±50.0 °C at 760 mmHg
AppearanceWhite to off-white powder
EINECS261-069-2
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 58001-44-8 |
| Catalog No. | 2A-9044936 |
| Chinese Name | 克拉维酸 |
| Synonyms | Acide clavulanique; Acid clavulanico; (2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; acidum clavulanicum; Clavulansaeure; EINECS 261-069-2; CLAVULANIC ACID; Clavulanate; Sodium Clavulanate |
| Molecular Formula | C8H9NO5 |
| Molecular Weight | 199.16 |
| Purity | 95 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 545.8±50.0 °C at 760 mmHg |
| Appearance | White to off-white powder |
| Storage Condition | normal temperature |
| Application | Clavulanic acid is a naturally occurring and powerful bacterial beta-lactamase inhibitor used in the study of infections caused by bacteria, including ear infections. Clavulanic acid is active against |
| EINECS | 261-069-2 |
| HTC | 2934995000 |
| PubChem ID | 8887 |
| MDL Number | C8H9NO5 |
| SMILES | O=C(O)C1C(=CCO)OC2CC(=O)N21 |
| InChI | InChI=1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1 |
| InChI Key | HZZVJAQRINQKSD-PBFISZAISA-N |
| MSDS | msds/44936_1_58001_44_8.pdf |
| Use of | Clavulanic acid is a naturally occurring powerful bacterial β-lactamases inhibitor for research of infections caused by bacteria, including infections of the ears. Clavulanic acid is active against a wide spectrum of gram-positive and gram-negative bacterias[1]. Properties Name (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Synonym More Synonyms Clavulanate Biological Activity Description Clavulanic acid is a naturally occurring powerful bacterial β-lactamases inhibitor for research of infections caused by bacteria, including infections of the ears. Clavulanic acid is active against a wide spectrum of gram-positive and gram-negative bacterias[1]. Related Catalog Research Areas >> Infection Research Areas >> Inflammation/Immunology Signaling Pathways >> Anti-infection >> Bacterial References [1]. Parag S Saudagar, et al. Clavulanic acid: a review. Biotechnol Adv. Jul-Aug 2008;26(4):335-51 Chemical & Physical Properties Molecular Formula C8H9NO5 Exact Mass 199.048065 PSA 87.07000 LogP -1.98 Index of Refraction 1.644 InChIKey HZZVJAQRINQKSD-PBFISZAISA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R-(2-alpha,3Z,5-alpha))- CAS REGISTRY NUMBER : 58001-44-8 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C8-H9-N-O5 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T45 ANV EOYTJ FU2Q GVQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,590,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,590,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,590,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,590,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,590,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 16,590,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 4(1),129,1980 Safety Information Hazard Codes Xi HS Code 2934995000 Synthetic Route Total: 1 Page Benzyl Clavulanate CAS#:57943-84-7 Clavulanate CAS#:58001-44-8 Literature: Brown, Allan G.; Corbett, David F.; Goodacre, Jennifer; Harbridge, John B.; Howarth, T. Trefor; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 4 p. 635 - 650 methyl clavulanate CAS#:57943-82-5 Clavulanate CAS#:58001-44-8 Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 635 - 650 sodium [2R-(2al... CAS#:57943-81-4 Clavulanate CAS#:58001-44-8 Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 4 p. 635 - 650 Precursor & DownStream Precursor 3 CAS#:57943-84-7 Benzyl Clavulanate CAS#:57943-82-5 methyl clavulanate CAS#:57943-81-4 sodium [2R-(2al... DownStream 5 CAS#:69779-62-0 9-deoxyclavulan... CAS#:83670-73-9 methyl 4-(2-hyd... CAS#:58243-07-5 methyl 3-(dieth... CAS#:83670-77-3 methyl-4-aza-8-... |
| Transport Info | Product name: Clavulanic acid |
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