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CAS 148-72-1 Pilocarpine Nitrate molecular structure lightbox
CAS RN: 148-72-1

Pilocarpine Nitrate

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 100mg In stock Shanghai, Chongqing Inquiry
Batchno.20250301 500mg In stock Shanghai Inquiry
  • Product code: ICTP0399
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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148-72-1 / (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;nitric acid

Standard CAS: 148-72-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
148-72-1
Multi CAS
No
Molecular Formula
C11H17N3O5
Molecular Weight
271.270000
Exact Mass
271.116821
SMILES
CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-]
InChI
InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1
InChIKey
PRZXEPJJHQYOGF-GNAZCLTHSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.92
TPSA
107.49

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (99.1%): Fatal if swallowed [Danger Acute toxicity, oral] H330 (99.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501

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