CAS RN: 1189671-27-9
Amoxapine-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.20251101 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1189671-27-9
- Purity/Analytical Methods: >99.0%
1189671-27-9 / 8-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)benzo[b][1,4]benzoxazepine
amoxapine | Asendin | Demolox
Basic Information
CAS
1189671-27-9
Multi CAS
Yes
Molecular Formula
C17H16ClN3O
Molecular Weight
321.800000
Exact Mass
321.148404
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2/i7D2,8D2,9D2,10D2
InChIKey
QWGDMFLQWFTERH-UFBJYANTSA-N
Synonyms
amoxapine
Asendin
Demolox
Amoxan
Desmethylloxapin
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.61
TPSA
36.86
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
2.6
Consensus LogP
3.02
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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
Customers Also Viewed
-
Chlorguanide-d4 Hydrochloride
- CAS RN: 1189671-34-8
- Product Code: starshine_CAS1189671-34-8
- Purity/Analytical method: >99.0%
-
4-Acetoxynisoldipine-D6
- CAS RN: 1189672-21-6
- Product Code: starshine_CAS1189672-21-6
- Purity/Analytical method: >99.0%
-
5-Amino-2-nitrobenzophenone-d5
- CAS RN: 1189718-61-3
- Product Code: starshine_CAS1189718-61-3
- Purity/Analytical method: >99.0%
-
-
BUPROPION-D9 HYDROCHLORIDE
- CAS RN: 1189725-26-5
- Product Code: starshine_CAS1189725-26-5
- Purity/Analytical method: >99.0%
-
4-Chloro-1H-pyrazolo[3,4-c]pyridin-3-ylamine
- CAS RN: 1189727-33-0
- Product Code: starshine_CAS1189727-33-0
- Purity/Analytical method: >99.0%
![CAS 1189727-33-0 4-Chloro-1H-pyrazolo[3,4-c]pyridin-3-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1189727-33-0.gif)