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164225981 molecular structure
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(2E)-2-{2-[(2,3-15N2)phthalazin-1-yl](1,2-15N2)hydrazin-1-ylidene}propanoic acid

ChemBase ID: 170071
Molecular Formular: C11H10N4O2
Molecular Mass: 234.19633559
Monoisotopic Mass: 234.06851515
SMILES and InChIs

SMILES:
c1cccc2c1c([15n][15n]c2)[15NH]/[15N]=C(\C)/C(=O)O
Canonical SMILES:
OC(=O)/C(=[15N]/[15NH]c1[15n][15n]cc2c1cccc2)/C
InChI:
InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+/i12+1,13+1,14+1,15+1
InChIKey:
CXGHHASVNBBLOU-BASVWLKOSA-N

Cite this record

CBID:170071 http://www.chembase.cn/molecule-170071.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-2-{2-[(2,3-15N2)phthalazin-1-yl](1,2-15N2)hydrazin-1-ylidene}propanoic acid
IUPAC Traditional name
(2E)-2-{2-[(2,3-15N2)phthalazin-1-yl](1,2-15N2)hydrazin-1-ylidene}propanoic acid
Synonyms
2-[2-(1-Phthalazinyl)hydrazinylidene-5N4]propanoic Acid
2-(1-Phthalazinylhydrazono-5N4)propanoic Acid
1-Phthalazinylhydrazone-5N4 Pyruvic Acid
Hydralazine-15N4 Pyruvic Acid Hydrazone
PubChem SID
164225981
PubChem CID
71748795

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H716552 external link Add to cart
PubChem 71748795 external link
Data Source Data ID Price
TRC
H716552 external link Add to cart Please log in.
Data Source Data ID
PubChem 71748795 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.6272075  H Acceptors
H Donor LogD (pH = 5.5) -0.30388442 
LogD (pH = 7.4) -1.4784503  Log P 1.440478 
Molar Refractivity 64.1975 cm3 Polarizability 23.952137 Å3
Polar Surface Area 87.47 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 - H716552 external link
A labelled active metabolite of Hydralazine (H716531) in vivo.

REFERENCES

REFERENCES

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  • • Criscione, L., et al.: J. Cardiov. Pharmacol., 8, 420 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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