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(S)-(-)-Carvedilol

CAT: 0572-TRC-C184635-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C184635-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95094-00-1
Hazard Statement
May cause an allergic skin reaction; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
COc1ccccc1OCCNC[C@H](O)COc2cccc3[nH]c4ccccc4c23
Molecular Formula
C24H26N2O4
Molecular Weight
406.47
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(-)-Carvedilol
CAS Number95094-00-1
PubChem CID185395
IUPAC Name(2S)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
Molecular FormulaC24H26N2O4
Molecular Weight406.5
XLogP4.2
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity508
SMILES
COC1=CC=CC=C1OCCNC[C@@H](COC2=CC=CC3=C2C4=CC=CC=C4N3)O
InChI
InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1
InChIKey
OGHNVEJMJSYVRP-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (-)-Carvedilol
CAS: 95094-00-1
CID: 185395
Formula: C24H26N2O4
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass406.18925731
Monoisotopic Mass406.18925731
Topological Polar Surface Area75.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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