Introduction：Basic information about CAS 525-94-0|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- |
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| CAS Number | 525-94-0 | Molecular Weight | 359.39800 |
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| Density | 1.5g/cm3 | Boiling Point | 739.2ºC at 760mmHg |
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| Molecular Formula | C14H21N3O6S | Melting Point | / |
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| MSDS | / | Flash Point | 400.9ºC |
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Names
| Name | penicillin N |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5g/cm3 |
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| Boiling Point | 739.2ºC at 760mmHg |
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| Molecular Formula | C14H21N3O6S |
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| Molecular Weight | 359.39800 |
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| Flash Point | 400.9ºC |
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| Exact Mass | 359.11500 |
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| PSA | 175.33000 |
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| LogP | 0.22940 |
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| Index of Refraction | 1.632 |
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| InChIKey | MIFYHUACUWQUKT-GPUHXXMPSA-N |
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| SMILES | CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XH8213500
- CHEMICAL NAME :
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(5-amino-5-carboxyvaleramido)-3,3- dimethyl-7-oxo-, D-
- CAS REGISTRY NUMBER :
- 525-94-0
- LAST UPDATED :
- 199309
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H21-N3-O6-S
- MOLECULAR WEIGHT :
- 359.44
- WISWESSER LINE NOTATION :
- T45 ANV ESTJ CZ CMV4VQ F1 F1 GVQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5 gm/kg
- 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),93,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2 gm/kg
- 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),93,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993
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Synonyms
| Penicillin |
| Synnematin B |
| Adicillin |
| Cephalosporin N |
| (2S,5R,6R)-6-[[(5R)-5-amino-5-carboxy-pentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| (6R)-6-[[(R)-5-Amino-5-carboxy-1-oxopentyl]amino]penicillanic acid |
