Structure

Tetroxoprim

CAS
53808-87-0
Catalog Number
ACM53808870
Category
Inhibitors
Molecular Weight
0
Molecular Formula
C16H22N4O4

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Specification

Description
Tetroxoprim is an antimicrobial DHFR inhibitor.
Synonyms
tetroxoprim;2,4-Diamino-5-[3,5-dimethoxy-4-(2-methoxyethoxy)benzyl]pyrimidine;5-[[3,5-Dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,4-pyrimidinediamine;5-[3,5-Dimethoxy-4-(2-methoxyethoxy)benzyl]-2,4-pyrimidinediamine;5-[3,5-Dimethoxy-4-(2-methoxyethoxy)benzyl]pyrimidine-2,4-diamine
Canonical SMILES
COCCOC1=C(C=C(CC2=CN=C(N)N=C2N)C=C1OC)OC
Appearance
Solid
Storage
4°C, protect from light, stored under nitrogen*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Shipping
Can be shipped at room temperature, where not in use may vary.
What is the molecular formula of Tetroxoprim?

The molecular formula of Tetroxoprim is C16H22N4O4.

What is the molecular weight of Tetroxoprim?

The molecular weight of Tetroxoprim is 334.37 g/mol.

What is the IUPAC name of Tetroxoprim?

The IUPAC name of Tetroxoprim is 5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine.

What is the InChIKey of Tetroxoprim?

The InChIKey of Tetroxoprim is WSWJIZXMAUYHOE-UHFFFAOYSA-N.

What is the canonical SMILES of Tetroxoprim?

The canonical SMILES of Tetroxoprim is COCCOC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC.

What is the CAS number of Tetroxoprim?

The CAS number of Tetroxoprim is 53808-87-0.

What is the ChEMBL ID of Tetroxoprim?

The ChEMBL ID of Tetroxoprim is CHEMBL32039.

What is the XLogP3 value of Tetroxoprim?

The XLogP3 value of Tetroxoprim is 0.6.

What is the hydrogen bond donor count of Tetroxoprim?

The hydrogen bond donor count of Tetroxoprim is 2.

What is the hydrogen bond acceptor count of Tetroxoprim?

The hydrogen bond acceptor count of Tetroxoprim is 8.

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