Introduction:Basic information about CAS 78512-63-7|7-amino-6-[(2-aminoacetyl)amino]-2-[[4-carboxy-4-[2-(dodecanoylamino)propanoylamino]b, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-amino-6-[(2-aminoacetyl)amino]-2-[[4-carboxy-4-[2-(dodecanoylamino)propanoylamino]butanoyl]amino]-7-oxoheptanoic acid |
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| CAS Number | 78512-63-7 | Molecular Weight | 628.75800 |
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| Density | 1.194g/cm3 | Boiling Point | 1048.6ºC at 760 mmHg |
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| Molecular Formula | C29H52N6O9 | Melting Point | / |
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| MSDS | / | Flash Point | 587.9ºC |
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Names
| Name | 7-amino-6-[(2-aminoacetyl)amino]-2-[[4-carboxy-4-[2-(dodecanoylamino)propanoylamino]butanoyl]amino]-7-oxoheptanoic acid |
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Chemical & Physical Properties
| Density | 1.194g/cm3 |
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| Boiling Point | 1048.6ºC at 760 mmHg |
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| Molecular Formula | C29H52N6O9 |
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| Molecular Weight | 628.75800 |
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| Flash Point | 587.9ºC |
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| Exact Mass | 628.38000 |
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| PSA | 260.11000 |
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| LogP | 3.39430 |
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| Index of Refraction | 1.523 |
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| InChIKey | BGGBQBAMDUCKFN-ZGJBTBESSA-N |
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| SMILES | CCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)CN)C(N)=O)C(=O)O)C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- OL5400000
- CHEMICAL NAME :
- DL-Lysinamide, glycyl-6-carboxy-N(sup 6)-(N-(N-(1-oxododecyl)-L-alanyl)-D-gamma-glutamyl)-, (R*,R*)-
- CAS REGISTRY NUMBER :
- 78512-63-7
- LAST UPDATED :
- 199406
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C29-H52-N6-O9
- MOLECULAR WEIGHT :
- 628.87
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 410 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,763,1984
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