SCH-527123 10mg

CAT: 0628-A11555-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A11555-10Size:10 mg

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CAS Number

473727-83-2

Chemical Information

Navarixin Anhydrous

Navarixin has been investigated for the treatment of Asthma.

CAS Number	473727-83-2
PubChem CID	9865554
IUPAC Name	2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular Formula	C21H23N3O5
Molecular Weight	397.4
XLogP	3.1
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	704

SMILES

CC[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C

InChI

InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1

InChIKey

RXIUEIPPLAFSDF-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 473727-83-2

CID: 9865554

Formula: C21H23N3O5

MW: 397.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.4
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	397.16377084
Monoisotopic Mass	397.16377084
Topological Polar Surface Area	112 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	704
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