Home Other Building Blocks Sar405838

Sar405838

CAS No.:
1303607-60-4
Catalog Number:
AG009BPE
Molecular Formula:
C29H34Cl2FN3O3
Molecular Weight:
562.5030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$140
- +
5mg
95%
1 week
United States
$265
- +
10mg
95%
1 week
United States
$407
- +
50mg
95%
1 week
United States
$1407
- +
100mg
95%
1 week
United States
$2223
- +
Product Description
Catalog Number:
AG009BPE
Chemical Name:
Sar405838
CAS Number:
1303607-60-4
Molecular Formula:
C29H34Cl2FN3O3
Molecular Weight:
562.5030
MDL Number:
MFCD28976052
IUPAC Name:
(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
InChI:
InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16?,17?,22-,23-,25+,29+/m0/s1
InChI Key:
IDKAKZRYYDCJDU-AEPXTFJPSA-N
SMILES:
OC1CCC(CC1)NC(=O)[C@@H]1N[C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C
UNII:
8570LZ3RCA
Properties
Complexity:
895  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
561.196g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
562.507g/mol
Monoisotopic Mass:
561.196g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Spironolactone metabolism in man studied by gas chromatography-mass spectrometry. Drug metabolism and disposition: the biological fate of chemicals 19750101
Properties