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22862-76-6 molecular structure
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4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate

ChemBase ID: 105355
Molecular Formular: C14H19NO4
Molecular Mass: 265.30496
Monoisotopic Mass: 265.13140809
SMILES and InChIs

SMILES:
COc1ccc(CC2NCC(O)C2OC(=O)C)cc1
Canonical SMILES:
COc1ccc(cc1)CC1NCC(C1OC(=O)C)O
InChI:
InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3
InChIKey:
YKJYKKNCCRKFSL-UHFFFAOYSA-N

Cite this record

CBID:105355 http://www.chembase.cn/molecule-105355.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate
IUPAC Traditional name
anisomycin
Synonyms
2-[p-Methoxybenzyl]-3,4-pyrrolidinediol 3-acetate
ANISOMYCIN
CAS Number
22862-76-6
EC Number
245-269-7
PubChem SID
162092491
PubChem CID
2199

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02159881 external link Add to cart Please log in.
Data Source Data ID
PubChem 2199 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.766854  H Acceptors
H Donor LogD (pH = 5.5) -2.3863556 
LogD (pH = 7.4) -1.0800986  Log P 0.73128223 
Molar Refractivity 69.3019 cm3 Polarizability 27.932943 Å3
Polar Surface Area 67.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
RTECS
BZ9800000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
R:25 expand Show data source
Safety Statements
S:28-29-36/37/39-45 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02159881 external link
From Streptomyces griseolus
Purity: 97%
Activates a restricted subset of kinases currently only identified by p54 and MAP kinase. Study aid for cytoplasmic signals resulting in nuclear signaling and induction of c-fos and c-jun .

REFERENCES

REFERENCES

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  • • Kavdal, E., et al., Mol. Cell. Biol. , 14 : 1066, (1994).
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PATENTS

PATENTS

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INTERNET

INTERNET

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