Isoxsuprine hydrochloride

CAT: 0024-sc-235434ASize: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235434ASize:10 g

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CAS Number

579-56-6

Chemical Information

Isoxsuprine Hydrochloride

Isoxsuprine hydrochloride is an alkylbenzene.

CAS Number	579-56-6
PubChem CID	11368
IUPAC Name	4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol;hydrochloride
Molecular Formula	C18H24ClNO3
Molecular Weight	337.8
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	299

SMILES

CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl

InChI

InChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H

InChIKey

QVPSGVSNYPRFAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 579-56-6

CID: 11368

Formula: C18H24ClNO3

MW: 337.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	337.1444713
Monoisotopic Mass	337.1444713
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
C3347-10000	Isoxsuprine (hydrochloride)
MBS3605126-01	Isoxsuprine hydrochloride
TRC-I918152-100MG	Isoxsuprine-d5 Hydrochloride
HY-B1270S-01	Isoxsuprine-d6 (hydrochloride)
HY-B1270R-01	Isoxsuprine hydrochloride (Standard)
HY-146968S-01	Alloerythro-Isoxsuprine-13C6 (hydrochloride)
TRC-K606400-100MG	Keto-Isoxsuprine Hydrochloride Salt
TRC-I918151-1MG	Isoxsuprine-d6 Hydrochloride (3-phenoxy-2-propyl-1,1,1,2,3,3,3-d6-amine) (mixture of disastereomers)
AR-I01923-01	Isoxsuprine