CAS RN: 1126745-58-1
Ziprasidone D8
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.20260322 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1126745-58-1
- Purity/Analytical Methods: >99.0%
1126745-58-1 / 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
Ziprasidone-d8 | Ziprasidone D8 | 5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
Basic Information
CAS
1126745-58-1
Multi CAS
Yes
Molecular Formula
C21H21ClN4OS
Molecular Weight
421.000000
Exact Mass
420.162674
SMILES
[2H]C1(C(N(C(C(N1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)([2H])[2H])([2H])[2H])C4=NSC5=CC=CC=C54)([2H])[2H])[2H]
InChI
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/i7D2,8D2,9D2,10D2
InChIKey
MVWVFYHBGMAFLY-UFBJYANTSA-N
Synonyms
Ziprasidone-d8
Ziprasidone D8
5-[2-[4-(1,2-benzothiazol-3-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
C21H21ClN4OS
CP-88059 D8
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.76
TPSA
48.47
LogP / Solubility
WLOGP
3.81
MLOGP
3.38
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P319, and P501
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