(R)-Desethylchloroquine

CAT: 0572-TRC-D289098-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D289098-100MGSize:100 mg

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CAS Number

106848-88-8

Hazard Statement

Harmful if swallowed

Smiles

CCNCCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12

Molecular Formula

C16 H22 Cl N3

Molecular Weight

291.819

InChI

InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)/t12-/m1/s1

Additionnal Information

IUPAC name: (4R)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine

Shipping Conditions

Room Temperature

Chemical Information

(-)-Desethylchloroquine

CAS Number	106848-88-8
PubChem CID	38989112
IUPAC Name	(4R)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine
Molecular Formula	C16H22ClN3
Molecular Weight	291.82
XLogP	3.8
Topological Polar Surface Area	37
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	274

SMILES

CCNCCC[C@@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl

InChI

InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)/t12-/m1/s1

InChIKey

MCYUUUTUAAGOOT-GFCCVEGCSA-N

Chemical Structure

2D Structure

CAS: 106848-88-8

CID: 38989112

Formula: C16H22ClN3

MW: 291.82

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	291.82
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	291.1502254
Monoisotopic Mass	291.1502254
Topological Polar Surface Area	37 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
534307	Desethylchloroquine
HY-150677S	Desethylchloroquine-d5 (dioxalate)
HY-138867S-01	N-Acetyl (mono) desethylchloroquine-d4
AR-P02420-01	(R, R, R, R) -Benzylposaconazole
286046-01	(R, R, R, R) -Orlistat
451679-01	H-NBH (Mixture of Diastereomers) (R, S, R, R + R, R, R, R)
RM-S120712-01	Saxagliptin (R, R, R, R) -Isomer
sc-481137	(R, R, R) -Aprepitant
AR-A02727-01	Atazanavir R, R, R, R-diastereomer
HY-W998245	(R, R, R) -AHPC (hydrochloride)

(R)-Desethylchloroquine

Chemical Information

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