Rovazolac 50mg

CAT: 0628-A18354-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A18354-50Size:50 mg

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CAS Number

1454288-88-0

Chemical Information

Pagibaximab

Rovazolac is under investigation in clinical trial NCT03175354 (A Study in Subjects With Moderate Atopic Dermatitis).

CAS Number	1454288-88-0
PubChem CID	89792952
IUPAC Name	ethyl 2-[5-[4-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
Molecular Formula	C21H19F3N2O4S
Molecular Weight	452.4
XLogP	4.1
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	717

SMILES

CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3

InChIKey

ZUMNJDGBYXHASJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1454288-88-0

CID: 89792952

Formula: C21H19F3N2O4S

MW: 452.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	452.4
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	452.10176275
Monoisotopic Mass	452.10176275
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	717
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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