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313998-81-1 molecular structure
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N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide

ChemBase ID: 130129
Molecular Formular: C27H39NO2
Molecular Mass: 409.60406
Monoisotopic Mass: 409.29807949
SMILES and InChIs

SMILES:
O=C(Nc1c(cc(O)cc1)C)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Canonical SMILES:
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1ccc(cc1C)O
InChI:
InChI=1S/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)
InChIKey:
WUZWFRWVRHLXHZ-UHFFFAOYSA-N

Cite this record

CBID:130129 http://www.chembase.cn/molecule-130129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide
IUPAC Traditional name
N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide
Synonyms
(5Z,8Z,11Z,14Z)-N-(4-Hydroxy-2-methylphenyl)-5,8,11,14-eicosatetraenamide
N-(4-Hydroxy-2-methylphenyl)arachidonylamide
VDM 11
N-(4-Hydroxy-2-methylphenyl)arachidonylamide
VDM-11
CAS Number
313998-81-1
MDL Number
MFCD04037552
PubChem SID
162224413
PubChem CID
71308297
9887748
Chemspider ID
8063420
Wikipedia Title
VDM-11

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
V3264 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.5822  H Acceptors
H Donor LogD (pH = 5.5) 8.231293 
LogD (pH = 7.4) 8.228499  Log P 8.231329 
Molar Refractivity 135.2534 cm3 Polarizability 49.822987 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds 15 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: soluble >5 mg/mL expand Show data source
Apperance
Gold colored oil expand Show data source
gold oil expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-42 expand Show data source
Safety Statements
23-36-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H332-H334 expand Show data source
GHS Precautionary statements
P261-P280-P342 + P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Description
Light-sensitive; store under argon. expand Show data source
Shipped in
wet ice expand Show data source
Empirical Formula (Hill Notation)
C27H39NO2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - V3264 external link
Biochem/physiol Actions
Potent, selective anandamide membrane transporter (AMT) inhibitor.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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