Guaifenesin EP Impurity B-d4

CAT: 1596-AR-G02788-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-G02788-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

114609-65-3

Synonyms

2- (2-Methoxyphenoxy) propane-1,1,3,3-d4-1,3-diol

Molecular Formula

C10H10D4O4

Molecular Weight

202.24

API Name

Guaifenesin

Chemical Information

2-(2-Methoxyphenoxy)-1,3-propanediol-d4

CAS Number	114609-65-3
PubChem CID	131668146
IUPAC Name	1,1,3,3-tetradeuterio-2-(2-methoxyphenoxy)propane-1,3-diol
Molecular Formula	C10H14O4
Molecular Weight	202.24
XLogP	0.3
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	147

SMILES

[2H]C([2H])(C(C([2H])([2H])O)OC1=CC=CC=C1OC)O

InChI

InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-8(6-11)7-12/h2-5,8,11-12H,6-7H2,1H3/i6D2,7D2

InChIKey

DTADPBLDQSWASV-KXGHAPEVSA-N

Chemical Structure

2D Structure

CAS: 114609-65-3

CID: 131668146

Formula: C10H14O4

MW: 202.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.24
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	202.11431591
Monoisotopic Mass	202.11431591
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	147
Isotope Atom Count	4
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-G01623-01	Guaifenesin EP Impurity B
AR-G01624-01	Guaifenesin EP Impurity C
AR-G01625-01	Guaifenesin EP Impurity D
AR-A02150-01	Guaifenesin EP Impurity A (Guaiacol)
AR-D07784-01	Levodropropizine EP Impurity B-d4
AR-E10266-01	Erlotinib EP Impurity B-d4
AR-M04438-01	Methotrexate EP Impurity B-d4
AR-A01938-01	Amiodarone EP Impurity B-d4 HCl
AR-A02874-01	Cis-Atovaquone-d4 (Atovaquone EP Impurity B-d4)
AR-L07689-01	Loratadine EP Impurity D-d4 (Loratadine USP Related Compound A-d4, Rupatadine EP Impurity B-d4, Desloratadine-d4)