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CAS 134332-50-6 Galanthamine-N-oxide molecular structure lightbox
CAS RN: 134332-50-6

Galanthamine-N-oxide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 10mg / 20mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS134332-50-6
  • Purity/Analytical Methods: >99.0%
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134332-50-6 / (1S,4R,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

Standard CAS: 134332-50-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134332-50-6
Multi CAS
No
Molecular Formula
C17H21NO4
Molecular Weight
303.350000
Exact Mass
303.147058
SMILES
C[N@+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)[O-]
InChI
InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18+/m0/s1
InChIKey
LROQBKNDGTWXET-CSBKYJRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.59
TPSA
61.75

LogP / Solubility

WLOGP
1.86
MLOGP
1.65
XLogP3
1.3
Consensus LogP
1.6
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-3.25

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
6

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

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