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CAS 1219795-37-5 Trimetazidine-d8 DiHCl molecular structure lightbox
CAS RN: 1219795-37-5

Trimetazidine-d8 DiHCl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1219795-37-5
  • Purity/Analytical Methods: >99.0%
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1219795-37-5 / 2,2,3,3,5,5,6,6-octadeuterio-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride

Standard CAS: 1219795-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219795-37-5
Multi CAS
No
Molecular Formula
C14H24Cl2N2O3
Molecular Weight
347.300000
Exact Mass
346.166612
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC2=C(C(=C(C=C2)OC)OC)OC)([2H])[2H])[2H].Cl.Cl
InChI
InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H/i6D2,7D2,8D2,9D2;;
InChIKey
VYFLPFGUVGMBEP-IKGFOUCPSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.74
TPSA
42.96

LogP / Solubility

WLOGP
1.96
MLOGP
1.74
XLogP3
1.96
Consensus LogP
1.89
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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