Minoxidil Impurity A
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
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.
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.
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
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
160.0151885 g/mol
Monoisotopic Mass
160.0151885 g/mol
Topological Polar Surface Area
85.7Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
233
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
