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164225979 molecular structure
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1-[(1,2-15N2)hydrazin-1-yl](2,3-15N2)phthalazine hydrochloride

ChemBase ID: 170069
Molecular Formular: C8H9ClN4
Molecular Mass: 200.61049559
Monoisotopic Mass: 200.03971356
SMILES and InChIs

SMILES:
c1cccc2c1c([15n][15n]c2)[15NH][15NH2].Cl
Canonical SMILES:
[15NH2][15NH]c1[15n][15n]cc2c1cccc2.Cl
InChI:
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H/i9+1,10+1,11+1,12+1;
InChIKey:
ZUXNZUWOTSUBMN-AKMRHMBASA-N

Cite this record

CBID:170069 http://www.chembase.cn/molecule-170069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(1,2-15N2)hydrazin-1-yl](2,3-15N2)phthalazine hydrochloride
IUPAC Traditional name
1-[(1,2-15N2)hydrazin-1-yl](2,3-15N2)phthalazine hydrochloride
Synonyms
1-Hydrazinylphthalazine-5N4 Hydrochloride
1(2H)-Phthalazinone Hydrazone-5N4 Hydrochloride
1-Phthalazinylhydrazine-5N4 Hydrochloride
Apresoline-5N4 Hydrochloride
Apulon-5N4
Hydralazine-5N4 Chloride
Hydralazine-5N4 Monohydrochloride
Lopres-5N4
Hydralazine-15N4 Hydrochloride
PubChem SID
164225979
PubChem CID
71748793

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H716532 external link Add to cart
PubChem 71748793 external link
Data Source Data ID Price
TRC
H716532 external link Add to cart Please log in.
Data Source Data ID
PubChem 71748793 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.691772  H Acceptors
H Donor LogD (pH = 5.5) -0.19961534 
LogD (pH = 7.4) 0.7096126  Log P 0.7513803 
Molar Refractivity 50.2348 cm3 Polarizability 18.632671 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H716532 external link
Labelled Hydralazine (H716531). It is a non-nucleoside analog that inhibits DNA methylation and reactivates the expression of tumor suppressor genes. Non-selective MAO-A/B inhibitor; semicarbazide-sensitive amine oxidase inhibitor. Antihypertensive.

REFERENCES

REFERENCES

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  • • Siedlecki, P., et al.: J. Med. Chem., 49, 678 (2006)
  • • Link, P., et al.: Cancer Res., 68, 9358 (2006)
  • • Singh, N., et al.: ChemMedChem., 4, 792 (2006)
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PATENTS

PATENTS

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INTERNET

INTERNET

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