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CAS 110429-35-1 Paroxetine Hydrochloride Hemihydrate molecular structure lightbox
CAS RN: 110429-35-1

Paroxetine Hydrochloride Hemihydrate

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260105 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260526 1g In stock Inquiry
Batchno.20250829 5g In stock Inquiry
  • Product code: SSC-011504
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110429-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

110429-35-1 / bis((3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine);hydrate;dihydrochloride

Paroxetine hydrochloride hemihydrate | Paroxetine hydrochloride hydrate | DTXSID101017095

Standard CAS: 110429-35-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110429-35-1
Multi CAS
Yes
Molecular Formula
C38H44Cl2F2N2O7
Molecular Weight
749.700000
Exact Mass
748.249364
SMILES
C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl.Cl
InChI
InChI=1S/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../s1
InChIKey
MQZOATSIFWSKKT-OASXIEIISA-N
Synonyms
Paroxetine hydrochloride hemihydrate Paroxetine hydrochloride hydrate DTXSID101017095 Aeopax (3s-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride Hemihydrate

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
2
Molar refractivity
194.47
TPSA
110.94

LogP / Solubility

WLOGP
6.67
MLOGP
5.94
XLogP3
6.67
Consensus LogP
6.43
Log S (ESOL)
-8.51
Class (ESOL)
Insoluble
Log S (Ali)
-10.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.03
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (81.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361 (18.9%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, 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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