CAS RN: 61361-34-0
DESIPRAMINE-2,4,6,8-D4 HCL
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS61361-34-0
- Purity/Analytical Methods: >99.0%
61361-34-0 / N-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride
Basic Information
CAS
61361-34-0
Multi CAS
Yes
Molecular Formula
C18H23CLN2
Molecular Weight
306.900000
Exact Mass
306.180083
InChI
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H/i2D,3D,9D,10D;
InChIKey
XAEWZDYWZHIUCT-TUJKZWLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
93.09
TPSA
15.27
LogP / Solubility
WLOGP
3.95
MLOGP
3.49
XLogP3
3.95
Consensus LogP
3.8
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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