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13045-94-8

13045-94-8 structure
13045-94-8 structure
  • Name: Medphalan
  • Chemical Name: (2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
  • CAS Number: 13045-94-8
  • Molecular Formula: C13H18Cl2N2O2
  • Molecular Weight: 305.20000
  • Create Date: 2017-03-31 14:30:52
  • Modify Date: 2024-01-31 10:30:46

Name (2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Synonyms 4-[Bis-(2-chlor-aethyl)-amino]-D-phenylalanin
(R)-2-amino-3-(4-(bis(2-chloroethyl)amino)phenyl)propanoic acid
D-Melphalan
Lopac-M-2011
4-(bis(2-chloroethyl)amino)-L-phenylalanine
4-[bis-(2-chloro-ethyl)-amino]-D-phenylalanine
Medphalan
3026 C. B.
p-Di(2-chloroethyl)amino-d-phenylalanine
MFCD01674289
Melphalan Impurity 12
Density 1.32g/cm3
Boiling Point 473.1ºC at 760 mmHg
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
Vapour Pressure 9.33E-10mmHg at 25°C
Index of Refraction 1.596

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY3370000
CHEMICAL NAME :
Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, D-
CAS REGISTRY NUMBER :
13045-94-8
LAST UPDATED :
199510
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C13-H18-Cl2-N2-O2
MOLECULAR WEIGHT :
305.23
WISWESSER LINE NOTATION :
QVYZ1R DN2G2G -D

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
113 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
120 mg/kg/9W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors
TYPE OF TEST :
Specific locus test

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
10 mmol/L
REFERENCE :
JOGNAU Journal of Genetics. (Belghoria, India) V.1-63, 1910-77. Discontinued. Volume(issue)/page/year: 54,146,1956 *** REVIEWS *** IARC Cancer Review:Animal Inadequate 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 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987
HS Code 2922499990
Precursor  2

DownStream  0

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%