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3-Hydroxy Carvedilol-d5

CAT: 0572-TRC-H825052-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H825052-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1329836-56-7
Synonyms
4-[2-Hydroxy-3-[[2-(2-methoxyphenoxy)ethyl]amino]propoxy-d5]-9H-carbazol-3-ol; (+/-)-4-[2-Hydroxy-3-[[2-(2-methoxyphenoxy)ethyl]amino]propoxy-d9]-9H-carbazol-3-ol; BM 910228-d5; SB 2114755-d5;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])(NCCOc1ccccc1OC)C([2H])(O)C([2H])([2H])Oc2c(O)ccc3[nH]c4ccccc4c23
Molecular Formula
C24H21D5N2O5
Molecular Weight
427.5
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Hydroxy Carvedilol-d5
CAS Number1329836-56-7
PubChem CID71748839
IUPAC Name4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-3-ol
Molecular FormulaC24H26N2O5
Molecular Weight427.5
XLogP3.8
Topological Polar Surface Area96
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity538
SMILES
[2H]C([2H])(C([2H])(C([2H])([2H])OC1=C(C=CC2=C1C3=CC=CC=C3N2)O)O)NCCOC4=CC=CC=C4OC
InChI
InChI=1S/C24H26N2O5/c1-29-21-8-4-5-9-22(21)30-13-12-25-14-16(27)15-31-24-20(28)11-10-19-23(24)17-6-2-3-7-18(17)26-19/h2-11,16,25-28H,12-15H2,1H3/i14D2,15D2,16D
InChIKey
RWDSIYCVHJZURY-SUTULTBBSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Carvedilol-d5
CAS: 1329836-56-7
CID: 71748839
Formula: C24H26N2O5
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass427.21555566
Monoisotopic Mass427.21555566
Topological Polar Surface Area96 Ų
Heavy Atom Count31
Formal Charge0
Complexity538
Isotope Atom Count5
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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