Phenylephrine EP Impurity D

CAT: 1299-RM-P141204-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P141204-04Size:100 mg

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CAS Number

1367567-95-0

Synonyms

(R) -3- (2- (benzyl (methyl) amino) -1-hydroxyethyl) phenol

Molecular Formula

C16H19NO2

Molecular Weight

257.33

Target Alternative Name

Phenylephrine

Product Name Synonym

(R) -3- (2- (benzyl (methyl) amino) -1-hydroxyethyl) phenol

Chemical Information

Benzylphenylephrine

CAS Number	1367567-95-0
PubChem CID	59940052
IUPAC Name	3-[(1R)-2-[benzyl(methyl)amino]-1-hydroxyethyl]phenol
Molecular Formula	C16H19NO2
Molecular Weight	257.33
XLogP	2.2
Topological Polar Surface Area	43.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	253

SMILES

CN(CC1=CC=CC=C1)C[C@@H](C2=CC(=CC=C2)O)O

InChI

InChI=1S/C16H19NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1

InChIKey

JBBZPOHBHNEKIM-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 1367567-95-0

CID: 59940052

Formula: C16H19NO2

MW: 257.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.33
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	257.141578849
Monoisotopic Mass	257.141578849
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	253
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-P141201-01	Phenylephrine EP Impurity A
RM-P141203-01	Phenylephrine EP Impurity C
RM-P141205-01	Phenylephrine EP Impurity E
RM-P141264-01	Phenylephrine EP Impurity A (S-Isomer)
RM-P141227-01	Phenylephrine Impurity 27; Etilefrine Hydrochloride EP Impurity B
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D
RM-O132304-01	Omeprazole EP Impurity D; Esomeprazole EP Impurity D
RM-C201214-01	Citalopram EP Impurity D; Escitalopram EP Impurity D
RM-L010306-01	Topiramate EP Impurity E; Lactulose EP Impurity D; Glucose EP Impurity D

Catalog	Name
TRC-B288630-10MG	rac Benzyl Phenylephrine(Phenylephrine Impurity D)
MBS6028149-01	rac Benzyl Phenylephrine (Phenylephrine Impurity D)
AR-P31260-01	Phenylephrine Impurity 73
AR-P31266-01	Phenylephrine Impurity 35
AR-P31275-01	Phenylephrine Impurity 57
AR-P31278-01	Phenylephrine Impurity 62
AR-P01753-01	Phenylephrine Impurity 18
AR-P31259-01	Phenylephrine Impurity 72
AR-P31263-01	Phenylephrine Impurity 77
AR-P31265-01	Phenylephrine Impurity 34