Guaifenesin EP Impurity C

CAT: 1299-RM-G210603-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G210603-01Size:10 mg

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CAS Number

1797132-23-0

Synonyms

3,3'-oxybis (1- (2-methoxyphenoxy) propan-2-ol)

Molecular Formula

C20H26O7

Molecular Weight

378.42

Target Alternative Name

Guaifenesin

Product Name Synonym

3,3'-oxybis (1- (2-methoxyphenoxy) propan-2-ol)

Chemical Information

1,1'-Oxybis(3-(2-methoxyphenoxy)propan-2-OL)

CAS Number	1797132-23-0
PubChem CID	121230801
IUPAC Name	1-[2-hydroxy-3-(2-methoxyphenoxy)propoxy]-3-(2-methoxyphenoxy)propan-2-ol
Molecular Formula	C20H26O7
Molecular Weight	378.4
XLogP	2.1
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	27
Formal Charge	0
Complexity	347

SMILES

COC1=CC=CC=C1OCC(COCC(COC2=CC=CC=C2OC)O)O

InChI

InChI=1S/C20H26O7/c1-23-17-7-3-5-9-19(17)26-13-15(21)11-25-12-16(22)14-27-20-10-6-4-8-18(20)24-2/h3-10,15-16,21-22H,11-14H2,1-2H3

InChIKey

AFKSAYSHFVIMCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1797132-23-0

CID: 121230801

Formula: C20H26O7

MW: 378.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.4
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	378.16785316
Monoisotopic Mass	378.16785316
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	347
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	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-G210604-01	Guaifenesin EP Impurity D
RM-G210200-01	Guaiacol; Guaifenesin EP Impurity A
RM-G210602-01	Guaifenesin EP Impurity B
RM-G210625-01	Guaifenesin Impurity 25
RM-G210606-01	Guaifenesin Impurity 6
RM-G210619-01	Guaifenesin Impurity 19
RM-G210617-01	Guaifenesin Impurity 17
RM-G210614-01	Guaifenesin Impurity 14
RM-G210613-01	Guaifenesin Impurity 13
RM-G210622-01	Guaifenesin Impurity 22

Catalog	Name
AR-G02787-01	Guaifenesin Impurity 1
AR-G01624-01	Guaifenesin EP Impurity C
AR-G01625-01	Guaifenesin EP Impurity D
IG176323-01	Guaifenesin EP Impurity B
AR-A02150-01	Guaifenesin EP Impurity A (Guaiacol)
AR-G02788-01	Guaifenesin EP Impurity B-d4
OR1036735	2- (2-Methoxyphenoxy) propane-1,3-diol (Guaifenesin Impurity)
MBS576828	Guaifenesin