2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID
Names
[ CAS No. ]:
531-76-0
[ Name ]:
2-AMINO-3-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)PROPANOIC ACID
[Synonym ]:
Merphalan
Sarcolysinum
D-Sarcolysin
D-Sarcolysine
Sarcolysin
Mephalan
Sarcoclorin
Sarkolysin
Sarcolysine
Medfalan
Merfalan
Chemical & Physical Properties
[ Density]:
1.32g/cm3
[ Boiling Point ]:
473.1ºC at 760mmHg
[ Melting Point ]:
182-183ºC (decomp)
[ Molecular Formula ]:
C13H18Cl2N2O2
[ Molecular Weight ]:
305.20000
[ Flash Point ]:
239.9ºC
[ Exact Mass ]:
304.07500
[ PSA ]:
66.56000
[ LogP ]:
2.62530
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AY3600000
- CHEMICAL NAME :
- Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, DL-
- CAS REGISTRY NUMBER :
- 531-76-0
- LAST UPDATED :
- 199604
- DATA ITEMS CITED :
- 19
- MOLECULAR FORMULA :
- C13-H18-Cl2-N2-O2
- MOLECULAR WEIGHT :
- 305.23
- WISWESSER LINE NOTATION :
- QVYZ1R DN2G2G -DL
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
- 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
- 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
- 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
- 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
- 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
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- 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)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 8 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- 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)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 5 mg/kg
- SEX/DURATION :
- female 6 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
MUTATION DATA
- 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
Safety Information
[ HS Code ]:
2922499990
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2922499990
[ Summary ]:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%