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CAS 104075-48-1 Atipamezole hydrochloride molecular structure lightbox
CAS RN: 104075-48-1

Atipamezole hydrochloride

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260128 100mg In stock Inquiry
Batchno.20260129 1g In stock Inquiry
Batchno.20250905 250mg In stock Inquiry
Batchno.20251213 25mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250218 1ml In stock Inquiry
  • Product code: SSC-005848
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104075-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

104075-48-1 / 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride

Atipamezole hydrochloride | Atipamezole HCl | 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride

Standard CAS: 104075-48-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104075-48-1
Multi CAS
Yes
Molecular Formula
C14H17ClN2
Molecular Weight
248.750000
Exact Mass
248.108026
SMILES
CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl
InChI
InChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H
InChIKey
PCCVCJAQMHDWJY-UHFFFAOYSA-N
Synonyms
Atipamezole hydrochloride Atipamezole HCl 1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride DTXSID2048583 UNII-2W4279571X

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.65
TPSA
28.68

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.28
Consensus LogP
3.15
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (60%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal] H331 (20%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P403+P233, P405, and P501

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