Edoxaban-d6 (HCl Salt)

CAT: 1596-AR-E01034-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01034-01Size:10 Units

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CAS Number

1304701-57-2

Synonyms

N1- (5-chloropyridin-2-yl) -N2- ((1S,2R,4S) -4- (dimethylcarbamoyl) -2- (5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido) cyclohexyl) oxalamide-D6 hydrochloride; N1- (5-Chloro-2-pyridinyl) -N2-[ (1S,2R,4S) -4-[[di (methyl-d3) amino]carbonyl]-2-[[ (4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl) carbonyl]amino]cyclohexyl]ethanediamide hydrochloride; DU 176-d6

Molecular Formula

C24H24D6ClN7O4S; HCl

Molecular Weight

554.1; 36.46

API Name

Edoxaban

Chemical Information

Edoxaban-d6

CAS Number	1304701-57-2
PubChem CID	53234441
IUPAC Name	N-[(1S,2R,4S)-4-[bis(trideuteriomethyl)carbamoyl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]-N'-(5-chloro-2-pyridinyl)oxamide
Molecular Formula	C24H30ClN7O4S
Molecular Weight	554.1
XLogP	1.4
Topological Polar Surface Area	165
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	880

SMILES

[2H]C([2H])([2H])N(C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C([2H])([2H])[2H]

InChI

InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1/i1D3,2D3

InChIKey

HGVDHZBSSITLCT-KUPMTGFDSA-N

Chemical Structure

2D Structure

CAS: 1304701-57-2

CID: 53234441

Formula: C24H30ClN7O4S

MW: 554.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	554.1
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	553.2145118
Monoisotopic Mass	553.2145118
Topological Polar Surface Area	165 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	880
Isotope Atom Count	6
Defined Atom Stereocenter Count	3
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
MBS393805	O-Acetyl (N,N-dimethyl-D6 98%)-L-Carnitine HCl Salt
sc-216691	4- (Chloromethyl) -2-[isopropyl-1,1,1,3,3,3-d6]-4-thiazolyl, HCl Salt
sc-224144	N-Methyl-N-[ (2-isopropyl-1,1,1,3,3,3-d6]-4-thiazolyl) methyl) amine HCl Salt
TRC-M609005-100MG	N-Methyl Edoxaban Iodide Salt
EDC80923-01	Dronedarone-d6 HCl
CS-B-00290	Hordenine-d6 HCl
TMIJ-0338-01	Pitolisant-d6 HCl
TMIJ-0228-01	Lidocaine-d6 HCl
TMIH-0493-01	Ribociclib-d6 HCl
CS-B-00340	Olopatadine-d6 HCl

Edoxaban-d6 (HCl Salt)

Chemical Information

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