Droxidopa Impurity 1

CAT: 1299-RM-D182401-03Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D182401-03Size:50 mg

Selected

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

Quick Request Actions

CAS Number

51829-98-2

Synonyms

(2R,3R) -2-amino-3- (3,4-dihydroxyphenyl) -3-hydroxypropanoic acid

Molecular Formula

C9H11NO5

Molecular Weight

213.19

Target Alternative Name

Droxidopa

Product Name Synonym

(2R,3R) -2-amino-3- (3,4-dihydroxyphenyl) -3-hydroxypropanoic acid

Chemical Information

(2R,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid

CAS Number	51829-98-2
PubChem CID	6999033
IUPAC Name	(2R,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
Molecular Formula	C9H11NO5
Molecular Weight	213.19
XLogP	-3.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	235

SMILES

C1=CC(=C(C=C1[C@H]([C@H](C(=O)O)N)O)O)O

InChI

InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8-/m1/s1

InChIKey

QXWYKJLNLSIPIN-HTQZYQBOSA-N

Chemical Structure

2D Structure

CAS: 51829-98-2

CID: 6999033

Formula: C9H11NO5

MW: 213.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.19
XLogP3	-3.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	213.06372245
Monoisotopic Mass	213.06372245
Topological Polar Surface Area	124 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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-D182405-01	Droxidopa Impurity 5
RM-D182402-01	Droxidopa Impurity 2
RM-D182404-01	Droxidopa Impurity 4
RM-D182403-01	Droxidopa Impurity 3
RM-D182400-01	Droxidopa
RM-I210627-01	Ramelteon Impurity 1 ; Ibuprofen Impurity 1
RM-D270002-01	Denaverine Impurity 1; Pargeverine Impurity 1
RM-K200336-01	Ketoconazole Impurity 36; Itraconazole Impurity 1
RM-V192110-01	Valsartan Impurity 110 ; Sacubitril Impurity 1
RM-A220166-01	Avatrombopag Impurity 66; Piperazine Impurity 1