Identifikatoren & physikalische Daten
| CAS No. | 1820673-23-1 |
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| Summenformel | C16H19N3O5S |
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| Durchschnittliche Molmasse | 365,4 g/mol |
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| Monoisotopische Masse | 365,10454171 g/mol |
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| SMILES | CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O |
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| InChIKey | AVGYWQBCYZHHPN-CYJZLJNKSA-N |
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| PubChem CID | 62921 |
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| ChEBI | CHEBI:3535 |
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| EC No. | 629-748-1 |
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| DTXSID | DTXSID30945995 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 139 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 25 |
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| Formalladung | 0 |
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| Komplexität | 600 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| Regulatorische Informationen | Cephalexin: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, monohydrate, [6R-[6.alpha.,7.beta.(R*)]]-: Environment tier I assessment |
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| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Sens. 1 (100%) |
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