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CAS 1346603-88-0 Alimemazine D6 molecular structure lightbox
CAS RN: 1346603-88-0

Alimemazine D6

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1346603-88-0
  • Purity/Analytical Methods: >99.0%
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1346603-88-0 / 2-methyl-3-phenothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine

Standard CAS: 1346603-88-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346603-88-0
Multi CAS
No
Molecular Formula
C18H22N2S
Molecular Weight
304.500000
Exact Mass
304.188030
SMILES
[2H]C([2H])([2H])N(CC(C)CN1C2=CC=CC=C2SC3=CC=CC=C31)C([2H])([2H])[2H]
InChI
InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3/i2D3,3D3
InChIKey
ZZHLYYDVIOPZBE-XERRXZQWSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
91.73
TPSA
6.48

LogP / Solubility

WLOGP
4.49
MLOGP
3.96
XLogP3
4.7
Consensus LogP
4.38
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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