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30223-73-5 molecular structure
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(2E)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine

ChemBase ID: 168609
Molecular Formular: C20H23N
Molecular Mass: 277.40332
Monoisotopic Mass: 277.18304974
SMILES and InChIs

SMILES:
C1C(/C(=C\C)/N(C1C)C)(c1ccccc1)c1ccccc1
Canonical SMILES:
C/C=C\1/N(C)C(CC1(c1ccccc1)c1ccccc1)C
InChI:
InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4+
InChIKey:
AJRJPORIQGYFMT-RMOCHZDMSA-N

Cite this record

CBID:168609 http://www.chembase.cn/molecule-168609.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
IUPAC Traditional name
EDDP
Synonyms
1,5-Dimethyl-3,3-diphenyl-2-ethylidenepyrrolidine
EDDP
2-Ethylidene-3,3-diphenyl-1,5-dimethylpyrrolidine
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (cis/trans mixture)
CAS Number
30223-73-5
PubChem SID
162262741
PubChem CID
5352621

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E919700 external link Add to cart
PubChem 5352621 external link
Data Source Data ID Price
TRC
E919700 external link Add to cart Please log in.
Data Source Data ID
PubChem 5352621 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2182828  LogD (pH = 7.4) 2.4101324 
Log P 4.6299644  Molar Refractivity 101.9382 cm3
Polarizability 34.9302 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Oil expand Show data source
Storage Condition
-20°C Freezer, 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 - E919700 external link
A metabolite of Methadone (M225865).

REFERENCES

REFERENCES

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  • • Sullivan, H., et al.: J. Med. Chem., 16, 909 (1973)
  • • Inturrisi, C., et al.: Clin. Pharmacol. Ther., 47, 565 (1973)
  • • Oda, Y., et al.: J. Pharmacol. Exp. Ther., 298, 1021 (1973)
  • • Lin, H., et al.: J. Anal. Toxicol., 28, 181 (1973)
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PATENTS

PATENTS

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INTERNET

INTERNET

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