Darolutamide

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CAS Number

1297538-32-9

Synonyms

N- ((S) -1- (3- (3-Chloro-4-cyanophenyl) -1H-pyrazol-1-yl) propan-2-yl) -5- (1-hydroxyethyl) -1H-pyrazole-3-carboxamide "

Molecular Formula

C19H19ClN6O2

Molecular Weight

398.9

API Name

Darolutamide

Chemical Information

Darolutamide

Darolutamide is a nonsteroidal androgen receptor antagonist for the treatment of castrate-resistant, non-metastatic prostate cancer (nmCRPC). This condition occurs in the majority of patients with advanced prostate cancer who have been treated with androgen receptor antagonists. Though prior treatment for prostate cancer has been successful for these patients, the cancer eventually progresses to become resistant to existing therapies. This warrants further treatment. The goal of treatment with darolutamide is to delay the progression of prostate cancer to metastatic disease, increasing quality of life and life expectancy for those with advanced prostate cancer. Darolutamide was developed by Bayer HealthCare Pharmaceuticals Inc. and approved by the FDA on July 30th, 2019.

CAS Number	1297538-32-9
PubChem CID	67171867
IUPAC Name	N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide
Molecular Formula	C19H19ClN6O2
Molecular Weight	398.8
XLogP	1.8
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	598

SMILES

C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O

InChI

InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1

InChIKey

BLIJXOOIHRSQRB-PXYINDEMSA-N

Chemical Structure

2D Structure

CAS: 1297538-32-9

CID: 67171867

Formula: C19H19ClN6O2

MW: 398.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	398.8
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	398.1258016
Monoisotopic Mass	398.1258016
Topological Polar Surface Area	120 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	598
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FD161413-01	Darolutamide
TMIH-0176-01	Darolutamide-d4
TRC-D421290-50MG	Darolutamide-Glu
TRC-D477711-25MG	Darolutamide D4
CS-O-44799	Darolutamide-d6
HY-16985R-01	Darolutamide (Standard)
RM-D800004-01	Darolutamide Impurity 4
RM-D800030-01	Darolutamide Impurity 30
RM-D800016-01	Darolutamide Impurity 16
RM-D800011-01	Darolutamide Impurity 11

Darolutamide

Chemical Information

Alternative Products

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