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MSDS  : Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, DL-
CAS  : 531-76-0
SYNONYMS  : * DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine * 4-(Bis(2-chloroethyl)amino)-DL-phenylalanine * CB-3307 * p-Di-(2-chloraethyl)-amino-DL-phenyl-alanin * p-Di(2-chloroethyl)amino-DL-phenylalanine * Merfalan * Merphalan * O-Merphalan * NCI-CO4944 * NSC-14210 * DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)- * DL-Phenylalanine mustard * Phenylalanin-lost * dl-Phenylalanin-lost * Sarcoclorin * DL-Sarcolysin * DL-Sarcolysine
*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER : AY3600000
CHEMICAL NAME : Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, DL-
CAS REGISTRY NUMBER : 531-76-0
OTHER CAS REGISTRY NOS. : 51-87-6
LAST UPDATED : 199604
DATA ITEMS CITED : 19
MOLECULAR FORMULA : C13-H18-Cl2-N2-O2
MOLECULAR WEIGHT : 305.23
WISWESSER LINE NOTATION : QVYZ1R DN2G2G -DL
COMPOUND DESCRIPTOR : Tumorigen
Drug
Mutagen
Reproductive Effector
SYNONYMS/TRADE NAMES :
* DL-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine
* 4-(Bis(2-chloroethyl)amino)-DL-phenylalanine
* CB-3307
* p-Di-(2-chloraethyl)-amino-DL-phenyl-alanin
* p-Di(2-chloroethyl)amino-DL-phenylalanine
* Merfalan
* Merphalan
* O-Merphalan
* NCI-CO4944
* NSC-14210
* DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-
* DL-Phenylalanine mustard
* Phenylalanin-lost
* dl-Phenylalanin-lost
* Sarcoclorin
* DL-Sarcolysin
* DL-Sarcolysine

*** HEALTH HAZARD DATA ***

** ACUTE TOXICITY DATA **

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 105 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea
Nutritional and Gross Metabolic - weight loss or decreased weight gain
Tumorigenic - active as anti-cancer agent
REFERENCE :
AICCA6 Acta Unio Internationalis Contra Cancrum. (Louvain, Belgium) V.1-20,
1936-64. For publisher information, see IJCNAW. Volume(issue)/page/year:
20,144,1964

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DKBSAS Doklady Biological Sciences (English Translation). Translation of
DANKAS: Biological Section. (Plenum Pub. Corp., 233 Spring St., New York, NY
10013) V.112- 1957- Volume(issue)/page/year: 171,801,1966

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 8,340,1958

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intracerebral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 250 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great
Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949-
Volume(issue)/page/year: 18,760,1966

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 26 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 16,634,1966

** TUMORIGENIC DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 98 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Blood - lymphoma, including Hodgkin's disease
REFERENCE :
CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment
Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948-
Volume(issue)/page/year: 40,1935,1977

** REPRODUCTIVE DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE : 8 mg/kg
SEX/DURATION : female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System
Reproductive - Specific Developmental Abnormalities - eye/ear
Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
REFERENCE :
DKBSAS Doklady Biological Sciences (English Translation). Translation of
DANKAS: Biological Section. (Plenum Pub. Corp., 233 Spring St., New York, NY
10013) V.112- 1957- Volume(issue)/page/year: 171,801,1966

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE : 8 mg/kg
SEX/DURATION : female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
DKBSAS Doklady Biological Sciences (English Translation). Translation of
DANKAS: Biological Section. (Plenum Pub. Corp., 233 Spring St., New York, NY
10013) V.112- 1957- Volume(issue)/page/year: 171,801,1966

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE : 8 mg/kg
SEX/DURATION : female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
REFERENCE :
DKBSAS Doklady Biological Sciences (English Translation). Translation of
DANKAS: Biological Section. (Plenum Pub. Corp., 233 Spring St., New York, NY
10013) V.112- 1957- Volume(issue)/page/year: 171,801,1966

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE : 5 mg/kg
SEX/DURATION : female 6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
DKBSAS Doklady Biological Sciences (English Translation). Translation of
DANKAS: Biological Section. (Plenum Pub. Corp., 233 Spring St., New York, NY
10013) V.112- 1957- Volume(issue)/page/year: 171,801,1966

** MUTATION DATA **

TYPE OF TEST : Phage inhibition capacity
TEST SYSTEM : Bacteria - Escherichia coli
DOSE/DURATION : 200 mg/L
REFERENCE :
ARMKA7 Archiv fuer Mikrobiologie. (Berlin, Fed. Rep. Ger.) V.1-94,
1930-73. For publisher information, see AMICCW. Volume(issue)/page/year:
51,9,1965

TYPE OF TEST : Mutation in microorganisms
TEST SYSTEM : Microorganism - not otherwise specified
DOSE/DURATION : 10 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 23,5,1974

*** REVIEWS ***

IARC Cancer Review:Animal Sufficient Evidence
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 9,167,1975

IARC Cancer Review:Human No Adequate Data
IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
V.1- 1972- Volume(issue)/page/year: 9,167,1975

IARC Cancer Review:Group 2B
IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49
Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year:
7,56,1987

*** STATUS IN U.S. ***

EPA GENETOX PROGRAM 1988, Positive: Carcinogenicity-mouse/rat

EPA GENETOX PROGRAM 1988, Positive: D melanogaster Sex-linked lethal

NCI Carcinogenesis Studies (ipr);clear evidence:mouse
CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment
Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948-
Volume(issue)/page/year: 40,1935,77

NCI Carcinogenesis Studies (ipr);no evidence:rat
CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment
Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948-
Volume(issue)/page/year: 40,1935,77


*** END OF RECORD ***
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ALL Chemical Property And Toxicity Analysis PAGES IN THIS GROUP
NAMECAS
Alanine,3-(p((bis(2-chloroethyl)amino)methyl)phenyl)-,dihydrochloride 2185-97-9
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenoxy)- 2185-97-9
Alanine,3-(p-(p-(bis(2-chloroethyl)amino)phenoxy)phenyl)-,DL- 857-95-4
Alanine,3-(p-(p-(bis(2-chloroethyl)amino)phenoxy)phenyl)-,sodium salt 857-95-4
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)- 857-95-4
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, D- 13045-94-8
3'-Adenylic acid, 5'-(dihydrogen phosphate),5'-anhydride with sulfuric acid 482-67-7
Alanine, 3-(m-(bis(2-chloroethyl)amino)phenyl)-, DL- 1088-79-5
Alanine, 3-(m-(bis(2-chloroethyl)amino)phenyl)-, L- 1088-80-8
Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-, DL- 342-95-0
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, DL- 531-76-0
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, L- 148-82-3
beta-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)- 1952-98-3
Alanine,N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-3-(p-chlorophenyl)-, DL- 55327-81-6
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-alanyl-L-lysyl)-, methyl ester, trihydrobromide 55327-81-6
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-alanyl-L-valyl)-, ethyl ester, dihydrochloride, (-)- 55327-81-6
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-arginyl-L-arginyl-L-norleucyl)-, methyl ester,hexahydrochloride 102516-63-2
5'-Adenylic acid, compd. with1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1) 39024-96-9
Alanine,2-(5-(bis(2-chloroethyl)amino)-1-phenyl-2-benzimidazolyl)- 73712-01-3
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-formyl-, L- 35849-41-3
Alanine,N-(3-(2-(bis(2-chloroethyl)amino)phenyl)-N-formylalanyl)-3-phenyl-, ethyl ester 35849-41-3
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-formyl-,ethyl ester, (-)- 35849-41-3
Alanine, 3-(m-(bis(2-chloroethyl)amino)phenyl)-,hydrochloride, DL- 4213-34-7
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,hydrochloride, D- 4213-32-5
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,hydrochloride, DL 1465-26-5
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-L-leucyl-,ethyl ester, hydrochloride, hydrate, (-)- 1465-26-5
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-L-lysyl-,methyl ester, trihydrochloride 62978-57-8
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-lysyl-L-valyl)-, hydrochloride 62978-50-1
5'-Adenylic acid, disodium salt 4578-31-8
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-2-methyl- 64977-06-6
L-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,methyl ester, monohydrochloride 64977-06-6
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,monohydrochloride, L- 3223-07-2
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-3-phenylalanyl)-, ethyl ester, hydrochloride, (-)- 3223-07-2
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,sodium salt, D- 3223-07-2
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,sodium salt, DL- 3223-07-2
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-,sodium salt, L- 3223-07-2
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-L-valyl-,ethyl ester, hydrochloride, hydrate, (-)- 3223-07-2
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(valyl-L-glycyl)-, ethyl ester, dihydrochloride, (-)- 3223-07-2
Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(valylglycyl-L-glycyl)-, ethyl ester, dihydrochloride, dihydrate 3223-07-2
Adenosine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate) 1927-31-7
5'-Adenylic acid, and glutathione, dihydrate 1927-31-7
D,L-Alanine,N-(((2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl) hydroxyamino)carbonyl)-, ethylester, P-oxide 97139-42-9
Alanine, 2,2-bis(2-chloroethyl)hydrazide,hydrobromide 92352-08-4
Alanine, N,N-bis(2-chloroethyl)-, hydrochloride 92352-08-4
Alanine, N,N'-bis(2-chloroethyl)-, hydrochloride 2752-21-8
beta-Alanine, N,N-bis(2-chloroethyl)-, hydrochloride 98435-03-1
Alanine, N,N-bis(2-chloroethyl)-, hydrochloride, DL- 3374-04-7
Alanine, N,N-bis(2-chloroethyl)-, N-oxide,hydrochloride 98435-06-4
Alanine,3-((4,6-bis(dimethylamino)-s-triazin-2-yl)thio)- 64124-19-2
Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- 4252-40-8

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