CAS RN: 103765-01-1

(R)-2-(2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE

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  • Product code: starshine_CAS103765-01-1
  • Purity/Analytical Methods: >99.0%
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103765-01-1 / (2R)-2-(2-oxopyrrolidin-1-yl)butanamide

Etiracetam | 2-(2-oxopyrrolidin-1-yl)butanamide | Etiracetamum

Standard CAS: 103765-01-1 Multi CAS: Yes

Basic Information

CAS
103765-01-1
Multi CAS
Yes
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
SMILES
CC[C@H](C(=O)N)N1CCCC1=O
InChI
InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1
InChIKey
HPHUVLMMVZITSG-ZCFIWIBFSA-N
Synonyms
Etiracetam 2-(2-oxopyrrolidin-1-yl)butanamide Etiracetamum UCB-6474 alpha-Ethyl-2-oxo-1-pyrrolidineacetamide

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.22
TPSA
63.4

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.3
Consensus LogP
-0.18
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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