Fenoldopam 8-Sulfate

CAT: 1596-AR-F09908-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F09908-01Size:10 Units

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CAS Number

87549-39-1

Molecular Formula

C16H16ClNO6S

Molecular Weight

385.82

API Name

Fenoldopam

Chemical Information

[9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate

CAS Number	87549-39-1
PubChem CID	159097
IUPAC Name	[9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] hydrogen sulfate
Molecular Formula	C16H16ClNO6S
Molecular Weight	385.8
XLogP	-0.5
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	547

SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C16H16ClNO6S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(16(15)20)24-25(21,22)23/h1-4,7,13,18-20H,5-6,8H2,(H,21,22,23)

InChIKey

KIMBJLCPZPHHRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87549-39-1

CID: 159097

Formula: C16H16ClNO6S

MW: 385.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	385.8
XLogP3	-0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	385.0386861
Monoisotopic Mass	385.0386861
Topological Polar Surface Area	124 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	547
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

Catalog	Name
TRC-F248810-100MG	Fenoldopam 8-Sulfate
TRC-F248815-100MG	Fenoldopam 7-Sulfate
MBS5757261	Fenoldopam
MBS5814286	Fenoldopam hydrobromide
sc-279160	Fenoldopam hydrochloride
sc-215032A	Fenoldopam monohydrobromide
GTR19168037-01	Fenoldopam mesylate