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CAS 115956-13-3 Dolasetron mesylate molecular structure lightbox
CAS RN: 115956-13-3

Dolasetron mesylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250430 1ml In stock Inquiry
  • Product code: SSC-015798
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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 115956-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

115956-13-3 / methanesulfonic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;hydrate

Dalasetron (Mesylate hydrate) | DOLASETRON MESYLATE | Dolasetron mesylate hydrate

Standard CAS: 115956-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115956-13-3
Multi CAS
Yes
Molecular Formula
C20H26N2O7S
Molecular Weight
438.500000
Exact Mass
438.146072
SMILES
CS(=O)(=O)O.C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54.O
InChI
InChI=1S/C19H20N2O3.CH4O3S/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4)/t11?,12-,13?,14?;/m1./s1
InChIKey
PSGRLCOSIXJUAL-VPUTYDRXSA-N
Synonyms
Dalasetron (Mesylate hydrate) DOLASETRON MESYLATE Dolasetron mesylate hydrate DOLASETRON MESYLATE MONOHYDRATE Dalasetron Mesylate Hydrate

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
109.84
TPSA
148.27

LogP / Solubility

WLOGP
1.2
MLOGP
1.08
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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