Verucerfont 10mM * 1mL in DMSO

CAT: 0628-A16950-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No

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CAT#:0628-A16950-10mM-DSize:10 mM x 1mL in DMSO

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

885220-61-1

Chemical Information

Verucerfont

Verucerfont has been used in trials studying the treatment of Congenital Adrenal Hyperplasia.

CAS Number	885220-61-1
PubChem CID	11596613
IUPAC Name	3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
Molecular Formula	C22H26N6O2
Molecular Weight	406.5
XLogP	4.5
Topological Polar Surface Area	90.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	568

SMILES

CC[C@@H](C1=NC(=NO1)C)NC2=CC(=NC3=C(C(=NN23)C)C4=C(C=C(C=C4)OC)C)C

InChI

InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1

InChIKey

VKHVAUKFLBBZFJ-SFHVURJKSA-N

Chemical Structure

2D Structure

CAS: 885220-61-1

CID: 11596613

Formula: C22H26N6O2

MW: 406.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.5
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	406.21172409
Monoisotopic Mass	406.21172409
Topological Polar Surface Area	90.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	568
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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