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CAS 135729-62-3 Palonosetron Hydrochloride molecular structure lightbox
CAS RN: 135729-62-3

Palonosetron Hydrochloride

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100mg In stock Shanghai Inquiry
Batchno.20260227 10g Out of stock Inquiry
Batchno.20260308 10mg In stock Shanghai Inquiry
Batchno.20250315 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260211 1mg In stock Shanghai Inquiry
Batchno.20251204 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260302 50mg In stock Shanghai Inquiry
Batchno.20251218 5g In stock Tianjin Inquiry
  • Product code: SSC-044294
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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: 1g
  • 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 135729-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

135729-62-3 / (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride

Standard CAS: 135729-62-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135729-62-3
Multi CAS
No
Molecular Formula
C19H25ClN2O
Molecular Weight
332.900000
Exact Mass
332.165541
SMILES
C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl
InChI
InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1
InChIKey
OLDRWYVIKMSFFB-SSPJITILSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
93.36
TPSA
23.55

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
3.08
Consensus LogP
2.96
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
7

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (45.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (18.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (36.4%): Harmful if inhaled [Warning Acute toxicity, inhalation] H351 (18.2%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501

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