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| CAS No.: | 3223-07-2 |
|---|---|
| Name: | 4-BIS(2-CHLORETHYL)-AMINO-L-PHENYLALANINE HYDROCHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C13H18 Cl2 N2 O2 . Cl H |
| Molecular Weight: | 341.665 |
| Synonyms: | Alanine,3-[p-[bis(2-chloroethyl)amino]phenyl]-, monohydrochloride, L- (8CI); L-Phenylalanine,4-[bis(2-chloroethyl)amino]-, monohydrochloride (9CI); Melphalan hydrochloride |
| Density: | g/cm3 |
| Melting Point: | 175-178 °C |
| Boiling Point: | 473.1°Cat760mmHg |
| Flash Point: | 239.9°C |
| Safety: | Deadly poison by intravenous route. Human systemic effects by ingestion: nausea and vomiting. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and HCl. |
| PSA: | 66.56000 |
| LogP: | 3.42730 |
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Chemistry
IUPAC: 2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid hydrochloride
L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine monohydrochloride CAS NO.of 3223-07-2 is also called for AI3-26377 ; Alanine nitrogen mustard hydrochloride ; Alkeran ; Alkeran hydrochloride ; CB 3025 hydrochloride ; L-Phenylalanine mustard hydrochloride ; L-Sarcolysine hydrochloride ; Melfalan hydrochloride ; Melphalan HCl ; Melphalan hydrochloride ; Phenylalanine mustard hydrochloride ; SK 15673 ; UNII-1VXP4V453T and so on.
CAS: 3223-07-2
Molecula Formula: C13H19Cl3N2O2
Molecular Weight: 341.66
EINECS: 205-726-3
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -0.72
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 9
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 265
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 2
Flash Point: 239.9°C
Enthalpy of Vaporization: 77.55 kJ/mol
Boiling Point: 473.1°C at 760 mmHg
Vapour Pressure: 9.33E-10 mmHg at 25°C
The molecular structure of L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine monohydrochloride CAS NO.of 3223-07-2:
Uses
L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine monohydrochloride (CAS NO.3223-07-2) is used as antineoplastic agent and myeloablative agonist.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 430ug/kg (0.43mg/kg) | BLOOD: LEUKOPENIA BLOOD: THROMBOCYTOPENIA BLOOD: OTHER CHANGES | Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 201, 1965. |
| dog | LDLo | oral | 4mg/kg (4mg/kg) | BLOOD: AGRANULOCYTOSIS BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | National Technical Information Service. Vol. PB229-000, |
| human | TDLo | oral | 1200ug/kg/5D- (1.2mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Cancer Chemotherapy Reports, Part 1. Vol. 57, Pg. 369, 1973. |
| monkey | LDLo | intravenous | 430ug/kg (0.43mg/kg) | BLOOD: LEUKOPENIA BLOOD: AGRANULOCYTOSIS BLOOD: OTHER CHANGES | Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 201, 1965. |
| mouse | LD50 | intravenous | 23mg/kg (23mg/kg) | National Technical Information Service. Vol. PB84-162486, |
Safety Profile
Deadly poison by intravenous route. Human systemic effects by ingestion: nausea and vomiting. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and HCl.