Aspartic acid, N-[p-[[ (2, 4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L-(8CI)

Modify Date: 2025-12-05 20:49:50

Aspartic acid, N-[p-[[ (2, 4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L-(8CI) structure	Common Name	Aspartic acid, N-[p-[[ (2, 4-diamino-6-quinazolinyl)methyl]amino]benzoyl]-, L-(8CI)
	CAS Number	18921-65-8	Molecular Weight	424.41000
	Density	1.547g/cm3	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₀N₆O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	N-[p-[[(2,4-Diamino-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid
Synonym	More Synonyms

Density	1.547g/cm3
Molecular Formula	C₂₀H₂₀N₆O₅
Molecular Weight	424.41000
Exact Mass	424.15000
PSA	193.55000
LogP	2.69030
Index of Refraction	1.765
InChIKey	RJMVWPJFVJJJLO-HNNXBMFYSA-N
SMILES	Nc1nc(N)c2cc(CNc3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)ccc2n1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CI9420000

CHEMICAL NAME :: Aspartic acid, N-(p-(((2,4-diamino-6-quinazolinyl)methyl)amino)benzo yl)-, L-

CAS REGISTRY NUMBER :: 18921-65-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C20-H20-N6-O5

MOLECULAR WEIGHT :: 424.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 17630 ug/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 :: 37 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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