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CAS 5568-90-1 ISOPROMETHAZINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 5568-90-1

ISOPROMETHAZINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5568-90-1
  • Purity/Analytical Methods: >99.0%
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5568-90-1 / N,N-dimethyl-2-phenothiazin-10-ylpropan-1-amine;hydrochloride

Standard CAS: 5568-90-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5568-90-1
Multi CAS
Yes
Molecular Formula
C17H21CLN2S
Molecular Weight
320.900000
Exact Mass
320.111398
InChI
InChI=1S/C17H20N2S.ClH/c1-13(12-18(2)3)19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H
InChIKey
RISCHQYUHLQSBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94.41
TPSA
6.48

LogP / Solubility

WLOGP
4.66
MLOGP
4.12
XLogP3
4.66
Consensus LogP
4.48
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-1.37

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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