Calcium pantothenate EP Impurity E

CAT: 0926-FC183609-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FC183609-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

897045-90-8

Synonyms

β-Alanyl pantothenamide

Smiles

[C@H] (C (NCCC (NCCC (O) =O) =O) =O) (C (CO) (C) C) O

Molecular Formula

C12H22N2O6

Molecular Weight

290.31 g/mol

Controlled

Chemical Information

N-D-Pantothenoyl-beta-Alanine

CAS Number	897045-90-8
PubChem CID	141121107
IUPAC Name	3-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]propanoic acid
Molecular Formula	C12H22N2O6
Molecular Weight	290.31
XLogP	-1.8
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	20
Formal Charge	0
Complexity	356

SMILES

CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCC(=O)O)O

InChI

InChI=1S/C12H22N2O6/c1-12(2,7-15)10(19)11(20)14-5-3-8(16)13-6-4-9(17)18/h10,15,19H,3-7H2,1-2H3,(H,13,16)(H,14,20)(H,17,18)/t10-/m0/s1

InChIKey

ZEFQNPXWTQSVAH-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 897045-90-8

CID: 141121107

Formula: C12H22N2O6

MW: 290.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.31
XLogP3	-1.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	290.14778643
Monoisotopic Mass	290.14778643
Topological Polar Surface Area	136 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	356
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
ID183744-01	Dutasteride EP impurity E
IC177717-01	Calcipotriol EP impurity E
FM165426-01	Methylprednisolone EP impurity E
IA180683-01	Amoxicillin EP Impurity E
IM181685-01	Metamizole EP impurity E
FO171022-01	Oxybutynin EP Impurity E
IA171042-01	Aripiprazole EP Impurity E
IG171034	Gabapentin EP Impurity E
IR183834-01	Rosuvastatin EP impurity M calcium
IA168563-01	Alverine EP Impurity E

Catalog	Name
RM-P011413-01	Calcium Pantothenate Impurity 13
RM-P011411-01	Calcium Pantothenate Impurity 11
RM-P011412-01	Calcium Pantothenate Impurity 12
RM-P011414-01	Calcium Pantothenate Impurity 14
RM-P011410-01	Calcium Pantothenate Impurity 10
RM-P011405-01	Calcium Pantothenate EP Impurity H
RG-D091307-01	Calcium Pantothenate EP Impurity B
AR-P29726-01	Calcium pantothenate EP Impurity B Calcium salt
RM-P011401-01	Calcium Pantothenate EP Impurity D; Pantothenic Acid Calcium Impurity 1
RM-P011403-01	Calcium Pantothenate EP Impurity F; Pantothenic acid calcium Impurity 3