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Basic Information
CAS No.: 528-74-5
Name: Dichloromethotrexate
Article Data: 3
Molecular Structure:
Molecular Structure of 528-74-5 (Dichloromethotrexate)
Formula: C20H20 Cl2 N8 O5
Molecular Weight: 523.335
Synonyms: Glutamicacid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-(6CI,7CI); Glutamic acid,N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(8CI); 3,5-Dichloromethotrexate; 3',5'-Dichloroamethopterin;3',5'-Dichloromethotrexate; Dichloromethotrexate; Methotrexate, dichloro-; NSC145883; NSC 29630
Density: 1.637g/cm3
Safety: Moderately toxic by intraperitoneal and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−.
PSA: 210.54000
LogP: 3.12850
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Chemistry

Chemistry informtion about 3',5'-Dichloromethotrexate (CAS NO.528-74-5) is:
IUPAC Name: (2S)-2-[[3,5-Dichloro-4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]Pentanedioic Acid ; 2-[[3,5-Dichloro-4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]Benzoyl]Amino]Pentanedioic Acid
Synonyms: Dichloromethotrexate ; 3',5'-Dichloromethotrexate ; 3',5'-Dichloroaminopterin ; Nci-C-04875 ; Nsc 29630 ; Nsc-29630
MF: C20H20Cl2N8O5
MW: 523.329400 g/mol 
Density: 1.637 g/cm3
Following is the molecular structure of 3',5'-Dichloromethotrexate (CAS NO.528-74-5) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 655mg/kg (655mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 intravenous 1021mg/kg (1021mg/kg) behavioral: excitement behavioral: muscle weakness behavioral: ataxia National Technical Information Service. Vol. PB82-172644,
rat LD50 unreported 3130ug/kg (3.13mg/kg)   United States Patent Document. Vol. #4746662,

Consensus Reports

NCI Carcinogenesis Studies (ipr): Equivocal Evidence: rat; No Evidence: mouse CANCAR    Cancer. 40 (1977),1935. .

Safety Profile

Moderately toxic by intraperitoneal and intravenous routes. Questionable carcinogen with experimental tumorigenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Cl−.

Specification

3',5'-Dichloromethotrexate (CAS NO.528-74-5) is a light yellow or yellow powder.It insoluble in water.When heated to decomposition,it emits toxic fumes.It is probably combustible.