CAS RN: 1181578-71-1
Trazodone-D6 Hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1181578-71-1
- Purity/Analytical Methods: >99.0%
1181578-71-1 / 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
Trazodone-d6 Hydrochloride | DTXSID90662212 | RefChem:1100292
Basic Information
CAS
1181578-71-1
Multi CAS
Yes
Molecular Formula
C19H23Cl2N5O
Molecular Weight
414.400000
Exact Mass
413.165626
SMILES
[2H]C([2H])(C([2H])([2H])N1CCN(CC1)C2=CC(=CC=C2)Cl)C([2H])([2H])N3C(=O)N4C=CC=CC4=N3.Cl
InChI
InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H/i4D2,8D2,10D2;
InChIKey
OHHDIOKRWWOXMT-BHIQTGFXSA-N
Synonyms
Trazodone-d6 Hydrochloride
DTXSID90662212
RefChem:1100292
DTXCID60612961
Trazodone-d6 (hydrochloride)
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
111.42
TPSA
45.78
LogP / Solubility
WLOGP
2.78
MLOGP
2.47
XLogP3
2.78
Consensus LogP
2.68
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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