Warfarin Sodium Impurity 19

CAT: 1299-RM-W011819-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-W011819-01Size:10 mg

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CAS Number

63740-77-2

Synonyms

(R) -4,8-dihydroxy-3- (3-oxo-1-phenylbutyl) -2H-chromen-2-one

Molecular Formula

C19H16O5

Molecular Weight

324.33

Target Alternative Name

Warfarin

Product Name Synonym

(R) -4,8-dihydroxy-3- (3-oxo-1-phenylbutyl) -2H-chromen-2-one

Chemical Information

8-Hydroxywarfarin, (R)-

R-8-Hydroxywarfarin is a hydroxycoumarin.

CAS Number	63740-77-2
PubChem CID	54744201
IUPAC Name	4,8-dihydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-2-one
Molecular Formula	C19H16O5
Molecular Weight	324.3
XLogP	2.3
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	532

SMILES

CC(=O)C[C@H](C1=CC=CC=C1)C2=C(C3=C(C(=CC=C3)O)OC2=O)O

InChI

InChI=1S/C19H16O5/c1-11(20)10-14(12-6-3-2-4-7-12)16-17(22)13-8-5-9-15(21)18(13)24-19(16)23/h2-9,14,21-22H,10H2,1H3/t14-/m1/s1

InChIKey

BHBOXPNWDGYJNB-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 63740-77-2

CID: 54744201

Formula: C19H16O5

MW: 324.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.3
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	324.09977361
Monoisotopic Mass	324.09977361
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	532
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

Catalog	Name
RM-W011823-01	Warfarin Sodium Impurity 23 ((S) -Warfarin)
RM-W011821-01	Warfarin Sodium Impurity 21
RM-W011826-01	Warfarin Sodium Impurity 26
RM-W011839-01	Warfarin Sodium Impurity 39
RM-W011837-01	Warfarin Sodium Impurity 37
RM-W011833-01	Warfarin Sodium Impurity 33
RM-W011812-01	Warfarin Sodium Impurity 12
RM-W011815-01	Warfarin Sodium Impurity 15
RM-W011811-01	Warfarin Sodium Impurity 11
RM-W011818-01	Warfarin Sodium Impurity 18

Catalog	Name
318985	Warfarin sodium
TRC-W498505-5G	(±)-Warfarin Sodium
AR-W01017-01	Warfarin impurity
GP6872-5g	Warfarin sodium salt
468797-01	(±) -Warfarin Sodium discontinued
CS-T-78763	Warfarin EP Impurity A
CS-O-31158	Warfarin Impurity C
CS-O-31157	Warfarin Impurity B
AR-W01014-01	Warfarin Impurity (Benzalacetone)
AR-W01036-01	Warfarin Impurity 7