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: 25g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
101-26-8 / (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
PYRIDOSTIGMINE BROMIDE | Kalimin | Kalymin
Basic Information
CAS
101-26-8
Multi CAS
Yes
Molecular Formula
C9H13BrN2O2
Molecular Weight
261.120000
Exact Mass
260.016040
SMILES
C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]
InChI
InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKey
VNYBTNPBYXSMOO-UHFFFAOYSA-M
Synonyms
PYRIDOSTIGMINE BROMIDE
Kalimin
Kalymin
Regonol
Regonal
Physical Properties
Melting Point
152-154 °C
Appearance
WHITE OR PRACTICALLY WHITE, CRYSTALLINE POWDER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.33
TPSA
33.42
LogP / Solubility
WLOGP
-2.42
MLOGP
-2.13
XLogP3
-2.42
Consensus LogP
-2.32
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.54
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H300 (72.6%): Fatal if swallowed [Danger Acute toxicity, oral]
H301 (27.4%): Toxic if swallowed [Danger Acute toxicity, oral]
H310 (66.1%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H317 (66.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H330 (67.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501
