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CAS 105826-92-4 Tropisetron Hydrochloride molecular structure lightbox
CAS RN: 105826-92-4

Tropisetron Hydrochloride

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250308 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 100g In stock Tianjin Inquiry
Batchno.20251215 1g In stock Shanghai Inquiry
Batchno.20250925 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250826 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTT2743
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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105826-92-4 / [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride

Tropisetron hydrochloride | TROPISETRON HCl | Tropisetron monohydrochloride

Standard CAS: 105826-92-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105826-92-4
Multi CAS
Yes
Molecular Formula
C17H21ClN2O2
Molecular Weight
320.800000
Exact Mass
320.129156
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
InChI
InChI=1S/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H/t11-,12+,13?;
InChIKey
XIEGSJAEZIGKSA-KOQCZNHOSA-N
Synonyms
Tropisetron hydrochloride TROPISETRON HCl Tropisetron monohydrochloride Navoban Tropisetron (Hydrochloride)

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.56
TPSA
45.33

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
3.37
Consensus LogP
3.24
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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