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Opipramol-d4

CAT: 0572-TRC-O669602-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O669602-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215716-70-3
Synonyms
4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol-d4; N-[3-[4-(2-Hydroxyethyl)piperazino]propyl]iminostilbene-d4;
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC([2H])([2H])C([2H])([2H])N(CC1)CCN1CCCN2C(C=CC=C3)=C3C=CC4=CC=CC=C42
Molecular Formula
C23H25D4N3O
Molecular Weight
367.52
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Opipramol-d4
CAS Number1215716-70-3
PubChem CID45359054
IUPAC Name2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]-1,1,2,2-tetradeuterioethanol
Molecular FormulaC23H29N3O
Molecular Weight367.5
XLogP3.6
Topological Polar Surface Area30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity448
SMILES
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2/i18D2,19D2
InChIKey
YNZFUWZUGRBMHL-AUZVCRNNSA-N
Chemical Structure
2D Structure
2D structure of Opipramol-d4
CAS: 1215716-70-3
CID: 45359054
Formula: C23H29N3O
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass367.256169541
Monoisotopic Mass367.256169541
Topological Polar Surface Area30 Ų
Heavy Atom Count27
Formal Charge0
Complexity448
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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