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CAS 107220-28-0 Cevimeline Hydrochloride Salt molecular structure lightbox
CAS RN: 107220-28-0

Cevimeline Hydrochloride Salt

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7 package records5 with current stock2 grade groups
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Batchno.20260601 5mg / 10mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS107220-28-0
  • Purity/Analytical Methods: >99.0%
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107220-28-0 / (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrochloride

(2R,3'R)-2-methyl-1'-azaspiro((1,3)oxathiolane-5,3'-bicyclo(2.2.2)octane) hydrochloride | (2R,3'R)-2-methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane] hydrochloride | RefChem:397459

Standard CAS: 107220-28-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107220-28-0
Multi CAS
Yes
Molecular Formula
C10H18ClNOS
Molecular Weight
235.770000
Exact Mass
235.079763
SMILES
C[C@@H]1O[C@]2(CN3CCC2CC3)CS1.Cl
InChI
InChI=1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H/t8-,10-;/m1./s1
InChIKey
SURWTGAXEIEOGY-GHXDPTCOSA-N
Synonyms
(2R,3'R)-2-methyl-1'-azaspiro((1,3)oxathiolane-5,3'-bicyclo(2.2.2)octane) hydrochloride (2R,3'R)-2-methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane] hydrochloride RefChem:397459 689-009-4 Cevimeline (hydrochloride)

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.15
TPSA
12.47

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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