Glafenine Hydrochloride

CAT: 0127-BUP14636Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

65513-72-6

Synonyms

Glafenin hydrochloride

Purity

=98%

Smiles

Cl.OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12

Chemical Information

Glafenine hydrochloride

CAS Number	65513-72-6
PubChem CID	3085326
IUPAC Name	2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;hydrochloride
Molecular Formula	C19H18Cl2N2O4
Molecular Weight	409.3
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	467

SMILES

C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl.Cl

InChI

InChI=1S/C19H17ClN2O4.ClH/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23;/h1-9,13,23-24H,10-11H2,(H,21,22);1H

InChIKey

CEUMONXVSJOJIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65513-72-6

CID: 3085326

Formula: C19H18Cl2N2O4

MW: 409.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	409.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	408.0643624
Monoisotopic Mass	408.0643624
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	467
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-B1153A-01	Glafenine (hydrochloride)
MBS3605489-01	Glafenine Hydrochloride
HY-B1153AR-01	Glafenine (hydrochloride) (Standard)
T0055-01	Glafenine
A24321-500	Glafenine 500mg
HY-B1153R-01	Glafenine (Standard)
A24321-100	Glafenine 100mg
sc-495725	Glafenine-d4