UR 1102

CAT: 0926-YXB15315-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YXB15315-01Size:50 mg

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CAS Number

1198153-15-9

MDL Number

MFCD28978060

Smiles

C1COC2=C (N1C (=O) C3=CC (=C (C (=C3) Br) O) Br) C=NC=C2

Molecular Formula

C14H10Br2N2O3

Molecular Weight

414.05 g/mol

Controlled

Chemical Information

Epaminurad

Epaminurad is under investigation in clinical trial NCT05815901 (A Therapeutic Confirmatory Study of Epaminurad Versus Febuxostat in Gout Patients).

CAS Number	1198153-15-9
PubChem CID	44608229
IUPAC Name	(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
Molecular Formula	C14H10Br2N2O3
Molecular Weight	414.05
XLogP	2.6
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	386

SMILES

C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Br)O)Br)C=NC=C2

InChI

InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2

InChIKey

ZMVGQIIOXCGAFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1198153-15-9

CID: 44608229

Formula: C14H10Br2N2O3

MW: 414.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.05
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	413.90377
Monoisotopic Mass	411.90582
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	386
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

Catalog	Name
FP33592-01	UR 144
VHC57742-01	5-Chloro-ur-144
DQC69026-01	N- (5-Bromopentyl) ur-144-d5
MLC88904-01	Ur-144 N- (4-hydroxypentyl) metabolite
BIC36933-01	Ur-144 N-pentanoic acid metabolite
VKB15595-01	Ur-144 N- (5-hydroxypentyl) metabolite
GNB01419-01	NS 11021
EPD03709-01	TL13-110
VFC04849-01	M-110
FP109393-01	(Pyr 110) -Prepro-Urotensin II (110-123) (rat)