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ORM-15341

CAT: 0926-XBC53733-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-XBC53733-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1297537-33-7
MDL Number
MFCD29472275
Smiles
C[C@@H] (CN1C=CC (=N1) C2=CC (=C (C=C2) C#N) Cl) NC (=O) C3=CC (=NN3) C (=O) C
Molecular Formula
C19H17ClN6O2
Molecular Weight
396.83 g/mol
Controlled
No

Chemical Information

(S)-5-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide

Ketodarolutamide, a nonsteroidal antiandrogen (NSAA), is the major active metabolite of [darolutamide].

CAS Number1297537-33-7
PubChem CID52919826
IUPAC Name3-acetyl-N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide
Molecular FormulaC19H17ClN6O2
Molecular Weight396.8
XLogP2.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity637
SMILES
C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=CC(=NN3)C(=O)C
InChI
InChI=1S/C19H17ClN6O2/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/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
InChIKey
GMBPVBVTPBWIKC-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-5-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide
CAS: 1297537-33-7
CID: 52919826
Formula: C19H17ClN6O2
MW: 396.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.8
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass396.1101515
Monoisotopic Mass396.1101515
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3601200-01ORM-15341
A12312-25Ketodarolutamide (ORM-15341) 25mg
A12312-5Ketodarolutamide (ORM-15341) 5mg
A12312-100Ketodarolutamide (ORM-15341) 100mg
A12312-50Ketodarolutamide (ORM-15341) 50mg
A12312-10Ketodarolutamide (ORM-15341) 10mg
A12312-1Ketodarolutamide (ORM-15341) 1mg
A12312-10mM-DKetodarolutamide (ORM-15341) 10mM * 1mL in DMSO
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