Roxatidine acetate hydrochloride

CAT: 0926-FR65153Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FR65153Size:25 g

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CAS Number

93793-83-0

MDL Number

MFCD00941429

Smiles

CC (=O) OCC (=O) NCCCOC1=CC=CC (=C1) CN2CCCCC2.Cl

Molecular Formula

C19H28N2O4•HCl

Molecular Weight

384.9 g/mol

Controlled

Chemical Information

Roxatidine Acetate Hydrochloride

Roxatidine acetate hydrochloride is a member of piperidines. It contains a Roxane.

CAS Number	93793-83-0
PubChem CID	56704
IUPAC Name	[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride
Molecular Formula	C19H29ClN2O4
Molecular Weight	384.9
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	26
Formal Charge	0
Complexity	410

SMILES

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2.Cl

InChI

InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H

InChIKey

FEWCTJHCXOHWNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93793-83-0

CID: 56704

Formula: C19H29ClN2O4

MW: 384.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	384.1815851
Monoisotopic Mass	384.1815851
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	410
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	2
Compound Is Canonicalized	Yes

Catalog	Name
DDA62828-01	Roxatidine acetate
KEA92592-01	Roxatidine hemioxalate
JHA04250-01	4-Piperidinylmethyl acetate hydrochloride
UYB97911-01	3-Pyrrolidinylmethyl acetate hydrochloride
UDA88604-01	4-Piperidinyl acetate hydrochloride
TEA97295	3-Azetidinyl acetate hydrochloride
VAA73939-01	2-Aminoethyl Acetate Hydrochloride
UYB94949-01	3-Pyrrolidinyl acetate hydrochloride
JDA12670-01	Ethyl 2- (cyclohexylamino) acetate hydrochloride
RPC25405-01	Methyl 2- (propylamino) acetate hydrochloride

Catalog	Name
MBS3606713-01	Roxatidine Acetate hydrochloride
HY-B0305A-01	Roxatidine (Acetate Hydrochloride)
sc-472810	Roxatidine-d10 acetate hydrochloride
A11921-500	Roxatidine acetate hydrochloride 500mg
HY-B0305AR-01	Roxatidine (Acetate Hydrochloride) (Standard)
A11921-5000	Roxatidine acetate hydrochloride 5g
A11921-200	Roxatidine acetate hydrochloride 200mg
A11921-1000	Roxatidine acetate hydrochloride 1000mg
GTR19206808-01	Roxatidine acetate
HY-169223	Roxatidine (hydrochloride)