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CAS 115189-28-1 DichloroiMipraMine Hydrochloride molecular structure lightbox
CAS RN: 115189-28-1

DichloroiMipraMine Hydrochloride

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1 package records0 with current stock1 grade group
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Batchno.20250308 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS115189-28-1
  • Purity/Analytical Methods: >99.0%
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115189-28-1 / 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride

Dichloroimipramine Hydrochloride | UIX9E95Q11 | 3,7-Dichloroimipramine hydrochloride

Standard CAS: 115189-28-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115189-28-1
Multi CAS
No
Molecular Formula
C19H23Cl3N2
Molecular Weight
385.800000
Exact Mass
384.092682
SMILES
CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl.Cl
InChI
InChI=1S/C19H22Cl2N2.ClH/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H
InChIKey
ZQIGPUHBKAQZPE-UHFFFAOYSA-N
Synonyms
Dichloroimipramine Hydrochloride UIX9E95Q11 3,7-Dichloroimipramine hydrochloride UNII-UIX9E95Q11 3-(3,7-Dichloro-10,11-dihydro-5H-dibenzo(b,f)azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
107.74
TPSA
6.48

LogP / Solubility

WLOGP
5.6
MLOGP
4.95
XLogP3
5.6
Consensus LogP
5.38
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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

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