Products for Research Use Only
RegisterLogin

N-Desmethyl-Apalutamide

CAT: 0931-T12146-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T12146-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1332391-11-3
Target
Cytochromes P450, Androgen Receptor
Related Pathways
Endocrinology/Hormones, Metabolism
Purity
0.986
Bioactivity
N-Desmethyl-Apalutamide is a less potent antagonist of the androgen receptor, is an active Apalutamide metabolite.
Smiles
NC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
Molecular Formula
C20H13F4N5O2S
Molecular Weight
463.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Desmethylapalutamide
CAS Number1332391-11-3
PubChem CID86683490
IUPAC Name4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide
Molecular FormulaC20H13F4N5O2S
Molecular Weight463.4
XLogP2.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity870
SMILES
C1CC2(C1)C(=O)N(C(=S)N2C3=CC(=C(C=C3)C(=O)N)F)C4=CC(=C(N=C4)C#N)C(F)(F)F
InChI
InChI=1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)
InChIKey
BAANHOAPFBHUDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Desmethylapalutamide
CAS: 1332391-11-3
CID: 86683490
Formula: C20H13F4N5O2S
MW: 463.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass463.07260850
Monoisotopic Mass463.07260850
Topological Polar Surface Area135 Ų
Heavy Atom Count32
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T2339-01Apalutamide
TMIH-0094-01Apalutamide-d7
T38725-01Apalutamide-COOH
T203117-01N-Desmethyl Bendamustine
TN7055-01N-Desmethyl Galanthamine
T19450-01N-desmethyl Enzalutamide
T35717N-desmethyl Rosiglitazone
T37979-01N-Desmethyl Pimavanserin
T12212-01N-desmethyl Netupitant
TMIH-0093-01Apalutamide-d4

Alternative Products

CatalogName
BA7254-5.1N-Desmethyl-Apalutamide
CS-O-33727N-Desmethyl apalutamide
TRC-D291398-50MGN-Desmethyl Apalutamide-d4
AR-A06703-01N-Desmethyl Apalutamide-d6
HY-135331SN-Desmethyl-Apalutamide-15N, d4
CS-SN-00002N-Desmethyl apalutamide 13C2,15N
CS-O-55060N-Nitroso Apalutamide Desmethyl Impurity
TRC-D291397-25MGN-Desmethyl Apalutamide D-13C215N
RM-A561096-01N-Nitroso Apalutamide
AR-A04708-01Apalutamide N-Oxide

Popular Products