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DL-threo-Droxidopa

CAT: 0572-TRC-D689950-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D689950-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3916-18-5
Synonyms
D-Tyrosine, β,3-dihydroxy-, (βS)-rel-; DL-Tyrosine, β,3-dihydroxy-, threo-; Serine, 3-(3,4-dihydroxyphenyl)-, DL-threo- (8CI); rel-(βS)-β,3-Dihydroxy-D-tyrosine; DL-threo-3,4-Dihydroxyphenylserine; DL-threo-DOPS; DL-threo-Dihydroxyphenylserine; threo-2-Amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropionic acid; DL-threo-Droxidopa
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(=O)O
Molecular Formula
C9 H11 N O5
Molecular Weight
213.19
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+/m0/s1
Additionnal Information
IUPAC name: (2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Droxidopa

Droxidopa is a serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension. It has a role as an antihypertensive agent, a prodrug and a vasoconstrictor agent. It is a L-tyrosine derivative and a member of catechols.

CAS Number3916-18-5
PubChem CID92974
IUPAC Name(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
Molecular FormulaC9H11NO5
Molecular Weight213.19
XLogP-3.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity235
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+/m0/s1
InChIKey
QXWYKJLNLSIPIN-JGVFFNPUSA-N
Chemical Structure
2D Structure
2D structure of Droxidopa
CAS: 3916-18-5
CID: 92974
Formula: C9H11NO5
MW: 213.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.19
XLogP3-3.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass213.06372245
Monoisotopic Mass213.06372245
Topological Polar Surface Area124 Ų
Heavy Atom Count15
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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290155-01DL-threo-droxidopa
447558-01DL-threo-Droxidopa-d3
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290156-01L-threo-droxidopa
0032901,3-Benzodioxole-N-phthalimido DL-threo-Droxidopa
MBS6046932-013,4-Di-O-benzyl DL-threo-Droxidopa Hydrochloride
AR-D02269-01Droxidopa Impurity 11 (DL-erythro-Droxidopa)
MBS6110577-011,3-Benzodioxole-N-phthalimido DL-threo-Droxidopa-13C2,15N
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