Home > Compound List > Compound details
847-84-7 molecular structure
click picture or here to close

6-(dimethylamino)-4,4-diphenylhexan-3-one hydrochloride

ChemBase ID: 175682
Molecular Formular: C20H26ClNO
Molecular Mass: 331.87954
Monoisotopic Mass: 331.17029214
SMILES and InChIs

SMILES:
C(C(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1)C.Cl
Canonical SMILES:
CCC(=O)C(c1ccccc1)(c1ccccc1)CCN(C)C.Cl
InChI:
InChI=1S/C20H25NO.ClH/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3;1H
InChIKey:
GYWUCVKLUKFJLC-UHFFFAOYSA-N

Cite this record

CBID:175682 http://www.chembase.cn/molecule-175682.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethylamino)-4,4-diphenylhexan-3-one hydrochloride
IUPAC Traditional name
normethadone hydrochloride
Synonyms
1,1-Diphenyl-1-(2-dimethylaminoethyl)-2-butanone Hydrochloride
1-Dimethylamino-3,3-diphenyl-4-hexanone Hydrochloride
Isoamidone I Hydrochloride
6-Dimethylamino-4,4-diphenyl-3-hexanone Hydrochloride
Dacartil Hydrochloride
Desmethylmethadone Hydrochloride
MCV 4457
NIH 10385
Ticarda
UM 118
Normethadone Hydrochloride
CAS Number
847-84-7
PubChem SID
164231592
PubChem CID
12313558

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N733500 external link Add to cart
PubChem 12313558 external link
Data Source Data ID Price
TRC
N733500 external link Add to cart Please log in.
Data Source Data ID
PubChem 12313558 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.795527  H Acceptors
H Donor LogD (pH = 5.5) 1.4835465 
LogD (pH = 7.4) 3.147492  Log P 4.5905967 
Molar Refractivity 92.8501 cm3 Polarizability 36.322643 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N733500 external link
Desmethyl analog of Methadone (M225865). A cough suppressant. Controlled Substance.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Eiden, F. et al.: Pharmaz. Zait., 117, 1503 (1972)
  • • Anand, D.R.: Arzneim.-Forsch., 15, 564 (1972)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle