Home > Compound List > Compound details
160970-54-7 molecular structure
click picture or here to close

1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide

ChemBase ID: 129463
Molecular Formular: C25H32F3N3O4
Molecular Mass: 495.5344896
Monoisotopic Mass: 495.23449118
SMILES and InChIs

SMILES:
FC(F)(F)COc1ccccc1OCCN[C@H](C)Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO
Canonical SMILES:
OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N
InChI:
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
InChIKey:
PNCPYILNMDWPEY-QGZVFWFLSA-N

Cite this record

CBID:129463 http://www.chembase.cn/molecule-129463.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
IUPAC Traditional name
silodosin
Synonyms
KAD-3213, KMD-3213
Silodosin
2,3-Dihydro-1-(3-hydroxypropyl)-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carboxamide
(R)-1-(3-Hydroxypropyl)-5-[2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]indoline-7-carboxamide
KAD 3213
KMD 3213
Silodosin
Urief
CAS Number
160970-54-7
PubChem SID
162223757
PubChem CID
5312125
ATC CODE
G04CA04
CHEMBL
24778
Chemspider ID
4471557
IUPHAR ligand ID
493
Unique Ingredient Identifier
CUZ39LUY82
Wikipedia Title
Silodosin

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
S465000 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.865219  H Acceptors
H Donor LogD (pH = 5.5) -0.1458398 
LogD (pH = 7.4) 0.82869637  Log P 3.0467358 
Molar Refractivity 128.9196 cm3 Polarizability 47.85751 Å3
Polar Surface Area 97.05 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Admin Routes
Oral expand Show data source
Bioavailability
32% expand Show data source
Excretion
Renal and fecal expand Show data source
Half Life
13±8 hours expand Show data source
Metabolism
Hepatic glucuronidation (UGT2B7-mediated); also minor CYP3A4 involvement expand Show data source
Protein Bound
97% expand Show data source
Legal Status
Rx-only expand Show data source
Pregnancy Category
B (US) expand Show data source
Not for use in women expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - S465000 external link
An α1a-adrenoceptor antagonist. It is used in treatment of benign prostatic hypertophy.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Shibata, K., et al.: Mol. Pharmacol., 48, 250 (1995)
  • • Murata, S., et al.: J. Urol., 164, 578 (1995)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle