4-Hydroxy Valproic Acid Sodium Salt

CAT: 1299-RM-V011228-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V011228-01Size:10 mg

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CAS Number

1216888-06-0

Synonyms

Sodium 4-hydroxy-2-propylpentanoate

Molecular Formula

C8H15NaO3

Molecular Weight

182.19

Target Alternative Name

Valproic Acid

Product Name Synonym

Sodium 4-hydroxy-2-propylpentanoate

Chemical Information

Sodium 4-hydroxy-2-propylpentanoate

CAS Number	1216888-06-0
PubChem CID	45039539
IUPAC Name	sodium 4-hydroxy-2-propylpentanoate
Molecular Formula	C8H15NaO3
Molecular Weight	182.19
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	127

SMILES

CCCC(CC(C)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C8H16O3.Na/c1-3-4-7(8(10)11)5-6(2)9;/h6-7,9H,3-5H2,1-2H3,(H,10,11);/q;+1/p-1

InChIKey

JVGXSXLLQJAOSE-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1216888-06-0

CID: 45039539

Formula: C8H15NaO3

MW: 182.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.19
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	182.09188862
Monoisotopic Mass	182.09188862
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	127
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
RM-V011230-01	Valproic Acid Impurity 4
RM-V011200-01	Valproic Acid; Sodium Caprylate EP Impurity E
RM-I200308-01	Irinotecan Acid Sodium Salt (Irinotecan Carboxylate Sodium Salt)
RM-T200304-01	Topotecan Acid Sodium Salt
RG-A260393-01	Hyaluronic acid, sodium salt
RM-V011266-01	Valproic Acid-d14
RM-V011229-01	Valproic Acid-D6
RM-V011257-01	Valproic Acid-D4
RM-S041901-01	Sodium Valproate EP Impurity A; Valproic Acid EP Impurity A
RM-L221908-01	Lovastatin Acid Triol Sodium Salt

Catalog	Name
40160004-2	Valproic Acid Sodium Salt
1647-200	Valproic Acid, Sodium Salt
A4099-10000	Valproic acid sodium salt (Sodium valproate)
A10855-5000	Valproic acid sodium salt 5g
A10855-500	Valproic acid sodium salt 500mg
AR-V06326-01	Valproic Acid-d14 Sodium Salt
A10855-25000	Valproic acid sodium salt 25g
A10855-1000	Valproic acid sodium salt 1g
sc-216476C	3-Keto Valproic Acid Sodium Salt
sc-216870	4-Hydroxy Valproic Acid Sodium Salt