[email protected]
CAS 15686-51-8 CLEMASTINE FUMARATE molecular structure lightbox
CAS RN: 15686-51-8

CLEMASTINE FUMARATE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260626 100mg In stock Inquiry
Batchno.20250704 25mg In stock Inquiry
Batchno.20250111 50mg In stock Inquiry
Batchno.20260512 5mg In stock Inquiry
  • Product code: starshine_CAS15686-51-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

15686-51-8 / (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine

Standard CAS: 15686-51-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
15686-51-8
Multi CAS
No
Molecular Formula
C21H26ClNO
Molecular Weight
343.900000
Exact Mass
343.170292
SMILES
C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C
InChI
InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
InChIKey
YNNUSGIPVFPVBX-NHCUHLMSSA-N

Physical Properties

Melting Point
178 °C (hydrogen fumarate formulation)
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
100.57
TPSA
12.47

LogP / Solubility

WLOGP
5.1
MLOGP
4.51
XLogP3
5
Consensus LogP
4.87
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us