CAS RN: 69-09-0
Chlorpromazine Hydrochloride
Product Availability
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6 package records6 with current stock3 grade groups
- Product code: ICTC2481
- Purity/Analytical Methods: >98.0%(T)(HPLC)
69-09-0 / 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Basic Information
CAS
69-09-0
Multi CAS
Yes
Molecular Formula
C17H20CL2N2S
Molecular Weight
355.300000
Exact Mass
354.072425
InChI
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
InChIKey
FBSMERQALIEGJT-UHFFFAOYSA-N
Physical Properties
Melting Point
378 to 385 °F (decomposes) (NTP, 1992)
Physical Description
Chlorpromazine hydrochloride appears as white or creamy-white odorless crystalline powder with very bitter taste. pH (5% aqueous solution) 4.0-5.5. pH (10% aqueous solution) 4-5. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.44
TPSA
6.48
LogP / Solubility
WLOGP
5.32
MLOGP
4.7
XLogP3
5.32
Consensus LogP
5.11
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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
Yes
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
