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2-Hydroxy Trimipramine-d3

CAT: 0572-TRC-H973502-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H973502-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189647-53-7
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N(C)CC(C)CN1c2ccccc2CCc3cc(O)ccc13
Molecular Formula
C20 D3 H23 N2 O
Molecular Weight
313.45
InChI
InChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-19-7-5-4-6-16(19)8-9-17-12-18(23)10-11-20(17)22/h4-7,10-12,15,23H,8-9,13-14H2,1-3H3/i2D3
Additionnal Information
IUPAC name: 11-[2-methyl-3-[methyl(trideuteriomethyl)amino]propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Hydroxy Trimipramine-d3
CAS Number1189647-53-7
PubChem CID45039536
IUPAC Name11-[2-methyl-3-[methyl(trideuteriomethyl)amino]propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Molecular FormulaC20H26N2O
Molecular Weight313.5
XLogP4.4
Topological Polar Surface Area26.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity373
SMILES
[2H]C([2H])([2H])N(C)CC(C)CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
InChI
InChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-19-7-5-4-6-16(19)8-9-17-12-18(23)10-11-20(17)22/h4-7,10-12,15,23H,8-9,13-14H2,1-3H3/i2D3
InChIKey
FQJSSUOYVSEYPF-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy Trimipramine-d3
CAS: 1189647-53-7
CID: 45039536
Formula: C20H26N2O
MW: 313.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass313.223343695
Monoisotopic Mass313.223343695
Topological Polar Surface Area26.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity373
Isotope Atom Count3
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
CS-T-565202-Hydroxy Trimipramine D3
0146012-Hydroxy Trimipramine-d3
FH24154-012-Hydroxy trimipramine
sc-4909992-Formyl Trimipramine-d3
CS-T-272392-Hydroxy-N-desmethyl Trimipramine
0141882-Hydroxy Nevirapine-d3
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