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2-hydroxypropane-1,2,3-tricarboxylic acid; ethylbis(3-phenylpropyl)amine
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ChemBase ID:
104097
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Molecular Formular:
C26H35NO7
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Molecular Mass:
473.5586
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Monoisotopic Mass:
473.24135247
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SMILES and InChIs
SMILES:
CCN(CCCc1ccccc1)CCCc1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O
Canonical SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(CCCc1ccccc1)CCCc1ccccc1
InChI:
InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey:
RYHCACJBKCOBTJ-UHFFFAOYSA-N
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Cite this record
CBID:104097 http://www.chembase.cn/molecule-104097.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-hydroxypropane-1,2,3-tricarboxylic acid; ethylbis(3-phenylpropyl)amine
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IUPAC Traditional name
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alverine; citric acid
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alverine; citro
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Synonyms
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NSC 35459
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Alverine citrate salt
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N-Ethyl-N-(3-phenylpropyl)benzenepropanamine 2-Hydroxy-1,2,3-propanetricarboxylate
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N-Ethyl-3,3'-diphenyldipropylamine Citrate
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Antispasmin
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Calmabel
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Gamatran
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Profenine
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Prophelan
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Proverine
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Spacolin
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Spasmaverine
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Spasmonal
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Alverine Citrate
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N-Ethyl-3,3'-diphenlyldipropylamine
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ALVERINE
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N-乙基-3,3′-二苯二丙胺
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阿尔维林 柠檬酸盐
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CAS Number
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EC Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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1.976472
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LogD (pH = 7.4)
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2.54984
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Log P
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5.4623833
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Molar Refractivity
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92.6739 cm3
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Polarizability
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36.165768 Å3
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Polar Surface Area
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3.24 Å2
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Rotatable Bonds
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14
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
MP Biomedicals
Sigma Aldrich
TRC
Sigma Aldrich -
A0424
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包装 5 g in poly bottle Application Used for studies of pharmacological activity including: • Synergism with fluconazole against Saccharomyces cerevisiae and Candida albicans1 • Efficacy of combination with simeticone on abdominal pain associated with irritable bowel syndrome2 • Nutrient-sensitized screening for drugs that shift energy metabolism from mitochondrial respiration to glycolysis3 • Drug effects viewed from a signal transduction network perspective4 • Enhanced cytotoxic effect of proteasome inhibitor MG1325 • Mechanism of action on phasic smooth muscles6 |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Stuhner, et al.: Arch. Pharm., 287, 139 (1954)
- • Salim, E.F., et al.: J. Pharm. Sci., et al.: 56, 1162 (1954)
- • Tudor, G.J., et al.: Br. J. Clin. Pract., 40, 276 (1954)
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PATENTS
PATENTS
PubChem Patent
Google Patent