Introduction：Basic information about CAS 18921-70-5|L-Aspartic acid,N-[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzo, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | L-Aspartic acid,N-[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]amino]benzoyl]- |
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| CAS Number | 18921-70-5 | Molecular Weight | 438.43700 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C21H22N6O5 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 2-[[4-[(2,4-diamino-5-methylquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Molecular Formula | C21H22N6O5 |
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| Molecular Weight | 438.43700 |
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| Exact Mass | 438.16500 |
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| PSA | 193.55000 |
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| LogP | 2.99870 |
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| InChIKey | NTKNUVXCGJPJQP-HNNXBMFYSA-N |
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| SMILES | Cc1c(CNc2ccc(C(=O)NC(CC(=O)O)C(=O)O)cc2)ccc2nc(N)nc(N)c12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CI9320000
- CHEMICAL NAME :
- Aspartic acid, N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)am ino)benzoyl)-, L-
- CAS REGISTRY NUMBER :
- 18921-70-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C21-H22-N6-O5
- MOLECULAR WEIGHT :
- 438.49
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50110 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 158 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 17 nmol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 25,1947,1976
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Synonyms
| Methasquin |
| N-{4-[(2,4-diamino-5-methyl-quinazolin-6-ylmethyl)-amino]-benzoyl}-aspartic acid |
| Aspartic acid,N-(p-(((2,4-diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-,L |
| N-(p-(((2,4-Diamino-5-methyl-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid |
