Dronedarone C

CAT: 0926-DBC58568-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DBC58568-02Size:50 mg

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CAS Number

1278585-68-4

Smiles

CCCCC1=C (C2=C (O1) C=CC (=C2) N) C (=O) C3=CC=C (C=C3) O

Molecular Formula

C19H19NO3

Molecular Weight

309.4 g/mol

Controlled

Chemical Information

(5-aMino-2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)Methanone

CAS Number	1278585-68-4
PubChem CID	69096654
IUPAC Name	(5-amino-2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
Molecular Formula	C19H19NO3
Molecular Weight	309.4
XLogP	4.4
Topological Polar Surface Area	76.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	405

SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)N)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H19NO3/c1-2-3-4-17-18(15-11-13(20)7-10-16(15)23-17)19(22)12-5-8-14(21)9-6-12/h5-11,21H,2-4,20H2,1H3

InChIKey

ZBSCIIGOYCSAQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1278585-68-4

CID: 69096654

Formula: C19H19NO3

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	309.13649347
Monoisotopic Mass	309.13649347
Topological Polar Surface Area	76.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	405
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
FD22615	Dronedarone hydrochloride
EDC80923-01	Dronedarone-d6 HCl
FD21148-01	Desbutyl dronedarone hydrochloride
VKC08011	S-Desmethyl S-chloromethyl dronedarone
BD164395	Dronedarone HCl - Bio-X TM
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
ZCA04871-01	Lancifolin C
FC52284-01	C-390

Catalog	Name
MBS132011-01	Dronedarone
CS-T-103404	Dronedarone-d9
272935-01	Dronedarone hydrochloride
MBS576651	Dronedarone HCl
CS-O-57069	Dronedarone-d15
HY-75839-01	Dronedarone (Hydrochloride)
TRC-M457840-50MG	Methanesulfonate Dronedarone