Laquinimod-d5

CAT: 1596-AR-L06572-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06572-02Size:25 Units

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

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CAS Number

1214267-09-0

Synonyms

5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N- (phenyl-d5) -1,2-dihydroquinoline-3-carboxamide

Molecular Formula

C19H12D5ClN2O3

Molecular Weight

361.84

API Name

Laquinimod

Chemical Information

Laquinimod-d5

CAS Number	1214267-09-0
PubChem CID	58046980
IUPAC Name	5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-(2,3,4,5,6-pentadeuteriophenyl)quinoline-3-carboxamide
Molecular Formula	C19H17ClN2O3
Molecular Weight	361.8
XLogP	3.7
Topological Polar Surface Area	60.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	571

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])N(CC)C(=O)C2=C(C3=C(C=CC=C3Cl)N(C2=O)C)O)[2H])[2H]

InChI

InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3/i4D,5D,6D,8D,9D

InChIKey

GKWPCEFFIHSJOE-SPUMIAEJSA-N

Chemical Structure

2D Structure

CAS: 1214267-09-0

CID: 58046980

Formula: C19H17ClN2O3

MW: 361.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.8
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	361.1241538
Monoisotopic Mass	361.1241538
Topological Polar Surface Area	60.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	571
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-L06570-01	Laquinimod
AR-L06569-01	Laquinimod Sodium Salt
AR-B01436-01	Bestatin-d5 (Ubenimex-d5)
AR-B06567-01	Benzhexol-d5 (Trihexyphenidyl-d5)
AR-Z01104-01	Zofenopril-d5 (Benzoic-d5)
AR-E10711-01	Etomidate-d5 (ester-d5)
AR-Z01109-01	Zofenopril-d5 (Thiophenyl-d5)
AR-S01446-01	Acetidenafil-d5 (Hongdenafil-d5)
AR-T02872-01	Retinoic Acid-d5 (Tretinoin-d5)
AR-U01163-01	Ursodiol-d5 (Ursodeoxycholic Acid-d5)