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CAS 101303-98-4 Zacopride hydrochloride molecular structure lightbox
CAS RN: 101303-98-4

Zacopride hydrochloride

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250207 10mg / 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250323 100mg In stock Shanghai Inquiry
Batchno.20250424 250mg Out of stock Inquiry
Batchno.20250907 25mg In stock Shanghai Inquiry
Batchno.20250114 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS101303-98-4
  • Purity/Analytical Methods: >99.0%
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101303-98-4 / 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide;hydrochloride

Zacopride (hydrochloride) | Zacopride hydrochloride anhydrous | 4-Amino-5-chloro-2-methoxy-N-(quinuclidin-3-yl)benzamide hydrochloride

Standard CAS: 101303-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101303-98-4
Multi CAS
Yes
Molecular Formula
C15H21Cl2N3O2
Molecular Weight
346.200000
Exact Mass
345.101082
SMILES
COC1=CC(=C(C=C1C(=O)NC2CN3CCC2CC3)Cl)N.Cl
InChI
InChI=1S/C15H20ClN3O2.ClH/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19;/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20);1H
InChIKey
ITXVOUSORXSTQH-UHFFFAOYSA-N
Synonyms
Zacopride (hydrochloride) Zacopride hydrochloride anhydrous 4-Amino-5-chloro-2-methoxy-N-(quinuclidin-3-yl)benzamide hydrochloride BJ3775635U 4-Amino-5-chloro-2-methoxy-N-(1-azabicyclo(2.2.2)oct-3-yl)benzamide monohydrochloride

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.08
TPSA
67.59

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
2.18
Consensus LogP
2.1
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5

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