sodium,(2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(1H-imidazol-5-yl)propanoate

Modify Date: 2025-11-29 18:39:47

sodium,(2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(1H-imidazol-5-yl)propanoate structure	Common Name	sodium,(2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(1H-imidazol-5-yl)propanoate
	CAS Number	63765-95-7	Molecular Weight	435.28000
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₈H₂₁Cl₂N₄NaO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	sodium,(2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(1H-imidazol-5-yl)propanoate
Synonym	More Synonyms

Molecular Formula	C₁₈H₂₁Cl₂N₄NaO₃
Molecular Weight	435.28000
Exact Mass	434.08900
PSA	104.64000
LogP	2.87510
InChIKey	SZNLWRISMNDPSR-RSAXXLAASA-M
SMILES	Cc1ccc(C(=O)NC(Cc2cnc[nH]2)C(=O)[O-])cc1N(CCCl)CCCl.[Na+]

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MS3100000

CHEMICAL NAME :: L-Histidine, N-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-, sodium salt

CAS REGISTRY NUMBER :: 63765-95-7

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H20-Cl2-N4-O3.Na

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 8,17,1974

l-histidine,n-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-,sodium salt

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