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5939-37-7

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Basic Information
CAS No.: 5939-37-7
Name: 7-HYDROXY METHOTREXATE
Article Data: 1
Molecular Structure:
Molecular Structure of 5939-37-7 (7-HYDROXY METHOTREXATE)
Formula: C20H22 N8 O6
Molecular Weight: 470.445
Synonyms: Glutamicacid, N-[p-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]-(7CI); Glutamic acid,N-[p-[[(2,4-diamino-7-hydroxy-6-pteridinyl)methyl]methylamino]benzoyl]-, L-(+)-(8CI); L-Glutamic acid,N-[4-[[(2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl]methylamino]benzoyl]-(9CI); 7-Hydroxymethotrexate; NSC 380962
Density: 1.68g/cm3
Melting Point: 230ºC dec.
Boiling Point: 571.95°C (rough estimate)
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 230.77000
LogP: 1.52730
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Chemistry

Product Name: 7-Hydroxymethotrexate (CAS NO.5939-37-7)


Molecular Formula: C20H22N8O6
Molecular Weight: 470.44g/mol
Mol File: 5939-37-7.mol
Appearance: Yellow Solid
Melting Point: 230°C dec.
Storage Temperature: −20°C
Density: 1.68 g/cm3
Surface Tension: 80.1 dyne/cm
XLogP3-AA: -0.8
H-Bond Donor: 6
H-Bond Acceptor: 12
Product Categories: Various Metabolites and Impurities; Intermediates and Fine Chemicals; Metabolites; Pharmaceuticals

Uses

A metabolite of Methotrexate, which is used as a antineoplastic and antirheumatic.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 300mg/kg (300mg/kg)   Cancer Chemotherapy and Pharmacology. Vol. 37, Pg. 415, 1996.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.

Specification

 7-Hydroxymethotrexate ,its CAS NO. is 5939-37-7,the synonyms is 7-Hydroxy methotrexate ; 7-Hydroxy methoxtrexate;glutamicacid,n-(p-(((2,4-diamino-7-hydroxy-6-pteridinyl)methyl)methylamino) ; l-Glutamicacid,n-(4-(((2,4-diamino-1,7-dihydro-7-oxo-6-pteridinyl)methyl)meth ; Ylamino)benzoyl)- ; l-(+)-7-Hydroxyamethopterin ; 7-Hydroxy amethopterin, 4-amino-7-hydroxy-10-methylpteroylglutamic acid ; 7-OH-mtx .