Ro0711401

CAT: 1410-M24725-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1410-M24725-04Size:10 mg

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

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Description

Ro0711401 is an agonist of mGlu1 receptor.

CAS Number

714971-87-6

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

360.29

Molecular Formula

C18H11F3N2O3

Notes

Research use only, not for human use.

Receptor

MGluR1

Chemical Information

Ro0711401

CAS Number	714971-87-6
PubChem CID	10338547
IUPAC Name	N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide
Molecular Formula	C18H11F3N2O3
Molecular Weight	360.3
XLogP	3.7
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	508

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NC4=NC(=CO4)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)

InChIKey

GSGDLBUOSWGZER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 714971-87-6

CID: 10338547

Formula: C18H11F3N2O3

MW: 360.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.3
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	360.07217670
Monoisotopic Mass	360.07217670
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	508
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