Home > Compound List > Compound details
6882-68-4 molecular structure
click picture or here to close

(1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

ChemBase ID: 119455
Molecular Formular: C15H24N2O
Molecular Mass: 248.36386
Monoisotopic Mass: 248.1888634
SMILES and InChIs

SMILES:
N12[C@@H]([C@@H]3[C@@H]4[C@@H](C1)CCCN4CCC3)CCCC2=O
Canonical SMILES:
O=C1CCC[C@H]2N1C[C@H]1CCCN3[C@@H]1[C@@H]2CCC3
InChI:
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15+/m1/s1
InChIKey:
ZSBXGIUJOOQZMP-BHPKHCPMSA-N

Cite this record

CBID:119455 http://www.chembase.cn/molecule-119455.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
IUPAC Traditional name
(1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Synonyms
(4(1)S,7aR,13aR,13bR)-dodecahydro-1H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10(4(1)H)-one
Sophoridine
CAS Number
6882-68-4
PubChem SID
162107974
PubChem CID
165549

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 165549 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3545308  LogD (pH = 7.4) -1.248441 
Log P 1.0759273  Molar Refractivity 71.4485 cm3
Polarizability 28.175423 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
Oil expand Show data source
Mechanism of Action
Antioxidant expand Show data source
Enhancer of sodium and calcium channels blocking expand Show data source
Biological Source
Alkaloid from roots of Sophora flavescens (Leguminosae) expand Show data source
Application(s)
Antiarrhythmic expand Show data source
Antioxidant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kamalitdinov, D. et al., Khim. Prir. Soedin., 1967, 3, 352; Chem. Nat. Compd. (Engl. Transl.), 1967, 3, 297, (isol)
  • • Yunusov, T.K. et al., Khim. Prir. Soedin., 1972, 8, 200; Chem. Nat. Compd. (Engl. Transl.), 1972, 8, 201, (ir)
  • • Monakhova, T.E. et al., Khim. Prir. Soedin., 1973, 9, 59; Chem. Nat. Compd. (Engl. Transl.), 1973, 9, 52, (deriv)
  • • Vul'fson, N.S. et al., Khim. Geterotsikl. Soedin., 1974, 10, 251; Chem. Heterocycl. Compd. (Engl. Transl.), 1974, 10, 221, (ms)
  • • Kamaev, F.G. et al., Khim. Prir. Soedin., 1974, 10, 744; Chem. Nat. Compd. (Engl. Transl.), 1974, 10, 765, (pmr, struct)
  • • Morinaga, K. et al., Chem. Pharm. Bull., 1978, 26, 2483, (pmr)
  • • Kuchkarov, S. et al., Khim. Prir. Soedin., 1979, 15, 364; Chem. Nat. Compd. (Engl. Transl.), 1979, 15, 364, (isol)
  • • Ibragimov, B.T. et al., Khim. Prir. Soedin., 1982, 18, 71; Chem. Nat. Compd. (Engl. Transl.), 1982, 18, 66, (rev, stereochem)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle