Minoxidil Impurity A

Inquiry

Molecular Formula:

C4H5ClN4O

Molecular Weight:

160.56

CAS Number:

35139-67-4

Catalog Number:

35139-67-4

Product Information

Molecular Formula:

C4H5ClN4O

Molecular Weight:

160.56

Description

6-Chloro-pyrimidine-2,4-diamine 3-Oxide is an impurity of the antihypertensive and antialopecia agent Minoxidil.

Synonyms

6-Chloro-pyrimidine-2,4-diamine 3-Oxide; 2,6-Diamino-4-chloropyrimidine 1-Oxide; 2,4-Diamino-6-chloropyrimidine 3-N-Oxide; 2,4-Diamino-6-chloropyrimidine 3-Oxide; 6-Chloro-2,4-diaminopyrimidine 3-Oxide; NSC 137211

IUPAC Name

6-chloro-3-hydroxy-2-iminopyrimidin-4-amine

Canonical SMILES

C1=C(N(C(=N)N=C1Cl)O)N

InChI

InChI=1S/C4H5ClN4O/c5-2-1-3(6)9(10)4(7)8-2/h1,7,10H,6H2

InChI Key

DOYINGSIUJRVKA-UHFFFAOYSA-N

Boiling Point

506.5±53.0 °C(Predicted)

Melting Point

>194°C (dec.)

Purity

> 95%

Density

1.91±0.1 g/cm3(Predicted)

Appearance

Light Beige Solid

Storage

Amber Vial, Refrigerator, Under inert atmosphere

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302:
IF ON SKIN:
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.
P352:
Wash with plenty of soap and water.

Computed Properties

XLogP3

1.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

160.0151885 g/mol

Monoisotopic Mass

160.0151885 g/mol

Topological Polar Surface Area

85.7Å²

Heavy Atom Count

Formal Charge

Complexity

233

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113979952-A	Preparation method of minoxidil	2021-10-28
CN-107235919-B	Process for synthesizing minoxidil	2017-06-22
EP-3468689-A1	Filter media including fine staple fibers	2016-06-09
WO-2017214419-A1	Filter media including fine staple fibers	2016-06-09
EP-3310453-A1	Filter media and elements with fine staple fibers	2015-06-19
WO-2016205621-A1	Filter media and elements with fine staple fibers	2015-06-19
US-2016361674-A1	Filter media including fine staple fibers	2014-12-15
EP-3142767-A1	Surface modified filter media	2014-05-15
EP-3142774-A1	Pre-coalescing multi-layered filter media	2014-05-15
US-10195542-B2	Surface modified filter media	2014-05-15

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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