-
(1S,2R,7R,10S,11S,14S,15S)-N-(1-hydroxy-2-methylpropan-2-yl)-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.02,7.011,15]heptadec-3-ene-14-carboxamide
-
ChemBase ID:
168925
-
Molecular Formular:
C23H36N2O3
-
Molecular Mass:
388.54354
-
Monoisotopic Mass:
388.27259302
-
SMILES and InChIs
SMILES:
C1=CC(=O)N[C@H]2[C@]1([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)C(=O)NC(CO)(C)C)C)C
Canonical SMILES:
OCC(NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=CC(=O)N2)(C)C
InChI:
InChI=1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey:
MFUJYZCMHDCXGQ-WSBQPABSSA-N
-
Cite this record
CBID:168925 http://www.chembase.cn/molecule-168925.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(1S,2R,7R,10S,11S,14S,15S)-N-(1-hydroxy-2-methylpropan-2-yl)-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.02,7.011,15]heptadec-3-ene-14-carboxamide
|
|
|
IUPAC Traditional name
|
(1S,2R,7R,10S,11S,14S,15S)-N-(1-hydroxy-2-methylpropan-2-yl)-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.02,7.011,15]heptadec-3-ene-14-carboxamide
|
|
|
Synonyms
|
(5α,17β)-N-(2-Hydroxy-1,1-dimethylethyl)-3-oxo- 4-azaandrost-1-ene-17-carboxamide
|
Finasteride 2-(2-Methylpropanol)amide
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
TRC
|
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
14.326564
|
H Acceptors
|
3
|
H Donor
|
3
|
LogD (pH = 5.5)
|
2.026381
|
LogD (pH = 7.4)
|
2.0265992
|
Log P
|
2.026602
|
Molar Refractivity
|
109.7397 cm3
|
Polarizability
|
42.97321 Å3
|
Polar Surface Area
|
78.43 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Storage Condition
|
-20°C Freezer
|
Show
data source
|
|
MSDS Link
|
|
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
F342020
|
A metabolite of Finasteride (F342000) (M-1 metabolite), an inhibitor of 5α-reductase, the enzyme which converts testosterone to the more potent androgen, 5α-dihydrotestosterone. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Carlin, J., et al.: Drug Metab. Dispos., 20, 148 (1992)
- • Huskey, S., et al.: Drug Metab. Dispos., 23, 1126 (1992)
- • Ishii, Y., et al.: Xenobio. Metabol. Dispos., 10, 197 (1992)
- • Roylance, P., et al.: Biomed. Pharmacother., 49, 332 (1992)
- • Lundahl, A., et a
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent