Products for Research Use Only
RegisterLogin

Reproterol

CAT: 1596-AR-R10682-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-R10682-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
54063-54-6
Synonyms
7- (3- ((2- (3,5-dihydroxyphenyl) -2-hydroxyethyl) amino) propyl) -1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Molecular Formula
C18H23N5O5
Molecular Weight
389.41
API Name
Reproterol

Chemical Information

Reproterol

Reproterol is an oxopurine.

CAS Number54063-54-6
PubChem CID25654
IUPAC Name7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione
Molecular FormulaC18H23N5O5
Molecular Weight389.4
XLogP-0.5
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity569
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O
InChI
InChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3
InChIKey
WVLAAKXASPCBGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Reproterol
CAS: 54063-54-6
CID: 25654
Formula: C18H23N5O5
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass389.16991885
Monoisotopic Mass389.16991885
Topological Polar Surface Area131 Ų
Heavy Atom Count28
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-135490-01Reproterol
T28519-01Reproterol hydrochloride
HY-123008Reproterol (hydrochloride)
HY-W759997Reproterol-d3
CS-O-48113N-Nitroso Reproterol
HY-123008RReproterol (hydrochloride) (Standard)
TRC-R144652-1MGReproterol-d3 (Major)
TRC-O861860-25MG2-Oxo Reproterol Tribenzyl

Popular Products