CAS RN: 341-69-5
ORPHENADRINE HYDROCHLORIDE
Product Availability
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5 package records0 with current stock1 grade group
- Product code: starshine_CAS341-69-5
- Purity/Analytical Methods: >99.0%
341-69-5 / N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
Basic Information
CAS
341-69-5
Multi CAS
Yes
Molecular Formula
C18H24CLNO
Molecular Weight
305.800000
Exact Mass
305.154642
InChI
InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKey
UQZKYYIKWZOKKD-UHFFFAOYSA-N
Physical Properties
Melting Point
313 to 315 °F (NTP, 1992)
Physical Description
Orphenadrine hydrochloride appears as odorless white or almost white crystalline powder. pH (aqueous solution) about 5.5. Bitter numbing taste. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.22
TPSA
12.47
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.08
Consensus LogP
3.92
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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