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17440-83-4 molecular structure
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3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide dihydrate hydrochloride

ChemBase ID: 73207
Molecular Formular: C6H13Cl2N7O3
Molecular Mass: 302.11852
Monoisotopic Mass: 301.04569267
SMILES and InChIs

SMILES:
c1(c(nc(c(n1)C(=O)NC(=N)N)N)N)Cl.Cl.O.O
Canonical SMILES:
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.O.O.Cl
InChI:
InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2
InChIKey:
LTKVFMLMEYCWMK-UHFFFAOYSA-N

Cite this record

CBID:73207 http://www.chembase.cn/molecule-73207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide dihydrate hydrochloride
IUPAC Traditional name
amiloride dihydrate hydrochloride
amilorida dihydrate hydrochloride
Synonyms
MK-870
Amilorida
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide dihydrate hydrochloride
CAS Number
17440-83-4
MDL Number
MFCD00211292
PubChem SID
162038127
PubChem CID
68540

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 68540 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.426196  H Acceptors
H Donor LogD (pH = 5.5) -0.7251268 
LogD (pH = 7.4) -0.4992728  Log P -0.49543247 
Molar Refractivity 67.1812 cm3 Polarizability 19.563002 Å3
Polar Surface Area 156.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.108 expand Show data source
Storage Condition
-20°C expand Show data source
Target
Ion channel expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals
Selleck Chemicals - S2560 external link
Biological Activity:
Amiloride hydrochloride dihydrate is a potent epithelial sodium channel blocker. Amilorida is the hydrochloride dehydrate of amiloride. Amiloride hydrochloride dihydrate works by directly blocking the epithelial sodium channel thereby inhibiting sodium reabsorption in the late distal convoluted tubules, connecting tubules, and collecting ducts in the kidneys (this mechanism is the same for triamterene). This promotes the loss of sodium and water from the body, but without depleting potassium. Amiloride hydrochloride dihydrate also carries the risk of developing an acidosis. A fraction of the effects of amiloride is inhibition of cyclic GMP-gated cation channels in the inner medullary collecting duct. Amiloride hydrochloride dihydrate has a second action on the heart, blocking Na+/H+ exchangers Sodium-hydrogen antiporter 1 or NHE-1. This minimizes reperfusion injury in ischemic attacks. Acid-Sensing ion channels are also sensitive to inhibition by Amiloride hydrochloride dihydrate. [1][2][3]References on Amiloride HCl dihydrate[1] http://en.wikipedia.org/wiki/Amiloride, , [2] Am J Respir Cell Mol Biol., 1992 Feb, 6(2):140-5[3] Am J Physiol Renal Physiol., 2003 Apr, 284(4):F628-43

REFERENCES

REFERENCES

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  • • http://en.wikipedia.org/wiki/Amiloride
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PATENTS

PATENTS

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INTERNET

INTERNET

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