FLA-908

CAT: 0013-GTR19209175-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19209175-02Size:50 mg

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Description

FLA-908

CAS Number

107188-90-9

Field of Research

Metabolism Research

Smiles

C (NCC1N (CC) CCC1) (=O) C2=C (OC) C (Br) =CC=C2O

Molecular Formula

C15H21BrN2O3

Molecular Weight

357.25

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Fla 908

dopamine D2 receptor antagonist; metabolite of remoxipride; structure given in first source; RN given refers to cpd without isomeric designation

CAS Number	107188-90-9
PubChem CID	129516
IUPAC Name	3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
Molecular Formula	C15H21BrN2O3
Molecular Weight	357.24
XLogP	2.3
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	356

SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)O

InChI

InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)

InChIKey

QRMZHEDLUQMLGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107188-90-9

CID: 129516

Formula: C15H21BrN2O3

MW: 357.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	357.24
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	356.07356
Monoisotopic Mass	356.07356
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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