Flavodilol

CAT: 0931-T202631-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202631-02Size:50 mg

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

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CAS Number

79619-31-1

Bioactivity

Flavodilol is an effective oral antihypertensive compound.

Smiles

O=C1C=C(OC2=CC(OCC(O)CNCCC)=CC=C12)C=3C=CC=CC3

Molecular Formula

C21H23NO4

Molecular Weight

353.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Flavodilol

RN & structure given in first source

CAS Number	79619-31-1
PubChem CID	54410
IUPAC Name	7-[2-hydroxy-3-(propylamino)propoxy]-2-phenylchromen-4-one
Molecular Formula	C21H23NO4
Molecular Weight	353.4
XLogP	3.8
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	486

SMILES

CCCNCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3

InChIKey

KRBRHCLLOOCWQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79619-31-1

CID: 54410

Formula: C21H23NO4

MW: 353.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.4
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	353.16270821
Monoisotopic Mass	353.16270821
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	486
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
GTR19241906-01	Flavodilol
GTR19242231-01	Flavodilol maleate