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1216619-15-6 molecular structure
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2-phenyl-4-[(propan-2-yl)amino]-2-(pyridin-2-yl)butanamide; oxalic acid

ChemBase ID: 166312
Molecular Formular: C20H25N3O5
Molecular Mass: 387.4296
Monoisotopic Mass: 387.17942092
SMILES and InChIs

SMILES:
C(CCNC(C)C)(c1ncccc1)(C(=O)N)c1ccccc1.C(=O)(O)C(=O)O
Canonical SMILES:
OC(=O)C(=O)O.CC(NCCC(c1ccccn1)(c1ccccc1)C(=O)N)C
InChI:
InChI=1S/C18H23N3O.C2H2O4/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16;3-1(4)2(5)6/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22);(H,3,4)(H,5,6)
InChIKey:
VZVCIBBRKTYOOA-UHFFFAOYSA-N

Cite this record

CBID:166312 http://www.chembase.cn/molecule-166312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenyl-4-[(propan-2-yl)amino]-2-(pyridin-2-yl)butanamide; oxalic acid
IUPAC Traditional name
4-(isopropylamino)-2-phenyl-2-(pyridin-2-yl)butanamide; oxalic acid
Synonyms
α-[2-[(1-Methylethyl)amino]ethyl]-α-phenyl-2-pyridineacetamide
4-Isopropylamino-2-phenyl-2-(2-pyridyl)butyramide
Mono-N-dealkyldisopyramide
(±)-Mono-N-desisopropyldisopyramide
SC 24566
Desisopropyl Disopyramide Oxalate
CAS Number
1216619-15-6
PubChem SID
162260445
PubChem CID
45038867

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D290160 external link Add to cart
PubChem 45038867 external link
Data Source Data ID Price
TRC
D290160 external link Add to cart Please log in.
Data Source Data ID
PubChem 45038867 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.062569  H Acceptors
H Donor LogD (pH = 5.5) -0.91360366 
LogD (pH = 7.4) -0.31948853  Log P 2.3120055 
Molar Refractivity 87.8381 cm3 Polarizability 34.660328 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
175-177°C expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D290160 external link
A metabolite of Disopyramide.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Heel, R., et al.: Drugs, 15, 331 (1978)
  • • Tsuura, Y., et al.: Diabetes, 42, 1446 (1978)
  • • Gonoi, T., et al.: J. Biol. Chem., 269, 16989 (1978)
  • • Horie, M., et al.: Cardiovas. Res., 34, 69 (1978)
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PATENTS

PATENTS

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INTERNET

INTERNET

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