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Lometrexol

CAS 106400-81-1C21H25N5O6MW 443.5

Lometrexol (CAS 106400-81-1) — formula C21H25N5O6, molecular weight 443.5; category organic chemicals.

Product Overview

CAS Number106400-81-1
Molecular FormulaC21H25N5O6
Molecular Weight443.5
LogP0.3
CategoryOrganic Chemicals

Technical Profile

What this product is

Lometrexol is a carbon-based organic compound with CAS registry number 106400-81-1 and molecular formula C21H25N5O6 (molecular weight 443.5), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 106400-81-1

Its molecular formula C21H25N5O6 comprises 21 C, 25 H, 5 N, 6 O atoms.

Also known as: Lometrexol · 洛美曲索

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Lometrexol?

The CAS registry number of Lometrexol is 106400-81-1.

What is the molecular formula and molecular weight of Lometrexol?

Molecular formula C21H25N5O6, molecular weight 443.5.

What other names is Lometrexol known by?

It is also registered under: Lometrexol, 洛美曲索.

Which category does Lometrexol belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Lometrexol (CAS 106400-81-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number106400-81-1
PubChem CID135413518
Molecular formulaC21H25N5O6
IUPAC name(2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
UNII (FDA)6P3AVY8A7Q

Computed descriptors

Molecular Weight443.5
XLogP30.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass443.18048353
Monoisotopic Mass443.18048353
Topological Polar Surface Area183
Heavy Atom Count32

Documented uses on record

  • Antimetabolites that are useful in cancer chemotherapy.
  • Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033)

Synonyms and trade names

Lometrexol; 106400-81-1; Lometrexolum; 5,10-dideazatetrahydrofolic acid; 6P3AVY8A7Q; LY264618; 5,10-dideazatetrahydrofolate; L-Glutamic acid, N-(4-(2-((6R)-2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-; 5,10-Dideaza-5,6,7,8-tetrahydrofolic acid; NSC660025; 5,10-DDTF; RefChem:800022; (6R)-DDATHF; 6R-5,10-Dideazatetrahydrofolate; Pyrido(2,3-d)pyrimidine, L-glutamic acid derivative; DDATHF

GHS hazard classification

Reported hazard statementsH301 (100%)

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

What the public record says

Lometrexol · CAS 106400-81-1 · C21H25N5O6. UNII 6P3AVY8A7Q.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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