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38304-91-5 molecular structure
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6-amino-2-imino-4-(piperidin-1-yl)-1,2-dihydropyrimidin-1-ol

ChemBase ID: 104374
Molecular Formular: C9H15N5O
Molecular Mass: 209.2483
Monoisotopic Mass: 209.12766013
SMILES and InChIs

SMILES:
Nc1cc(nc(=N)n1O)N1CCCCC1
Canonical SMILES:
Nc1cc(nc(=N)n1O)N1CCCCC1
InChI:
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
InChIKey:
ZIMGGGWCDYVHOY-UHFFFAOYSA-N

Cite this record

CBID:104374 http://www.chembase.cn/molecule-104374.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-2-imino-4-(piperidin-1-yl)-1,2-dihydropyrimidin-1-ol
IUPAC Traditional name
minoxidil
Synonyms
6-(1-Piperidinyl)-2,4-pyrimidinediamine 3-oxide
6-(1-Piperidinyl)pyrimidine-2,4-diamine 3-oxide
Minoxidil
U-10858
6-[1-Piperidinyl]pyrimidine-2,4-diamine 3 oxide
MINOXIDIL
CAS Number
38304-91-5
EC Number
253-874-2
MDL Number
MFCD00063409
PubChem SID
24277853
162092212
PubChem CID
4201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.710583  H Acceptors
H Donor LogD (pH = 5.5) -2.6651955 
LogD (pH = 7.4) -1.964298  Log P -0.2730341 
Molar Refractivity 77.5324 cm3 Polarizability 21.13408 Å3
Polar Surface Area 88.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
248°C expand Show data source
272-274 °C (dec.)(lit.) expand Show data source
Storage Condition
0°C expand Show data source
RTECS
UV8200000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
R:22 expand Show data source
Safety Statements
26-36 expand Show data source
S:36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Gene Information
human ... KCNJ1(3758) expand Show data source
Purity
≥99% (TLC) expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02155719 external link
(U-10858; 6-[1-Piperidinyl]pyrimidine-2,4-diamine 3 oxide) Stimulates ATP-activated potassium-ion channels.
Sigma Aldrich - M4145 external link
Biochem/physiol Actions
Activates ATP-activated K+ channels; vasodilator; slow or stop hair loss and promote hair regrowth.

REFERENCES

REFERENCES

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  • • Gorecki, Anal. Profiles Drug Subst., 17: 185 (1988).
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PATENTS

PATENTS

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INTERNET

INTERNET

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