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rac-Propranolol-d7

CAT: 0572-TRC-P831803-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P831803-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
344298-99-3
Synonyms
Propranolol-(ring-D7)
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c2c(OCC(O)CNC(C)C)c([2H])c([2H])c([2H])c2c1[2H]
Molecular Formula
C16 2H7 H14 N O2
Molecular Weight
266.39
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D
Additionnal Information
IUPAC name: 1-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propranolol-(ring-D7)
CAS Number344298-99-3
PubChem CID49849705
IUPAC Name1-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC16H21NO2
Molecular Weight266.39
XLogP3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity257
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=C2OCC(CNC(C)C)O)[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i3D,4D,5D,6D,7D,8D,9D
InChIKey
AQHHHDLHHXJYJD-MIBSYSDMSA-N
Chemical Structure
2D Structure
2D structure of Propranolol-(ring-D7)
CAS: 344298-99-3
CID: 49849705
Formula: C16H21NO2
MW: 266.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.39
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass266.201166134
Monoisotopic Mass266.201166134
Topological Polar Surface Area41.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity257
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
YDA89723-01Rac-Propranolol-d7
sc-212742Rac Propranolol-d7
014407Rac 4’-Hydroxy Propranolol-d7 Sulfate
MBS6042462-01rac 4'-Hydroxy Propranolol-d7 Sulfate
CS-O-03093Propranolol-d7
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sc-219784Rac 4-Hydroxy Propranolol-d7 β-D-Glucuronide
RM-P181528-01Propranolol-D7 (Naphthalenyl-D7)
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CS-W-00320Propranolol-d7 Hydrochloride

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