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CAS 141625-93-6 Dronedarone Hydrochloride molecular structure lightbox
CAS RN: 141625-93-6

Dronedarone Hydrochloride

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8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250605 1g In stock Shanghai, Shandong Inquiry
Batchno.20260128 250mg In stock Hebei Inquiry
Batchno.20250207 25g Out of stock 5-7 business days Inquiry
Batchno.20260121 5g In stock Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250519 1g In stock Inquiry
Batchno.20260410 250mg In stock Inquiry
Batchno.20260401 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250506 1ml In stock Inquiry
  • Product code: ICTD4689
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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141625-93-6 / N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride

Standard CAS: 141625-93-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141625-93-6
Multi CAS
No
Molecular Formula
C31H45ClN2O5S
Molecular Weight
593.200000
Exact Mass
592.273771
SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl
InChI
InChI=1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H
InChIKey
DWKVCQXJYURSIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
1
Molar refractivity
166.78
TPSA
88.85

LogP / Solubility

WLOGP
7.47
MLOGP
6.62
XLogP3
7.47
Consensus LogP
7.19
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-9.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (58.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (41.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361 (33.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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