Olinciguat 25mg

CAT: 0628-A13670-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A13670-25Size:25 mg

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CAS Number

1628732-62-6

Chemical Information

Olinciguat

Olinciguat is under investigation in clinical trial NCT03892499 (A Trial to Evaluate the Effect of Itraconazole (ITZ), a CYP3A4 Inhibitor, on the Pharmacokinetics of the Soluble Guanylate Cyclase Stimulator, Olinciguat (IW-1701), in Healthy Volunteers).

CAS Number	1628732-62-6
PubChem CID	90445883
IUPAC Name	(2R)-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide
Molecular Formula	C21H16F5N7O3
Molecular Weight	509.4
XLogP	2.3
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	768

SMILES

C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NC[C@@](C(=O)N)(C(F)(F)F)O)F)C4=NOC=C4)F

InChI

InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1

InChIKey

YWQFJNWMWZMXRW-HXUWFJFHSA-N

Chemical Structure

2D Structure

CAS: 1628732-62-6

CID: 90445883

Formula: C21H16F5N7O3

MW: 509.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	509.4
XLogP3	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	509.12347821
Monoisotopic Mass	509.12347821
Topological Polar Surface Area	145 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	768
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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Olinciguat 25mg

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