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CAS 1133229-30-7 LEVETIRACETAM-D6 molecular structure lightbox
CAS RN: 1133229-30-7

LEVETIRACETAM-D6

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1133229-30-7
  • Purity/Analytical Methods: >99.0%
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1133229-30-7 / (2S)-2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide

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

Standard CAS: 1133229-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1133229-30-7
Multi CAS
Yes
Molecular Formula
C8H14N2O2
Molecular Weight
176.250000
Exact Mass
176.143188
SMILES
[2H]C1(C(=O)N(C(C1([2H])[2H])([2H])[2H])[C@@H](CC)C(=O)N)[2H]
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-/m0/s1/i3D2,4D2,5D2
InChIKey
HPHUVLMMVZITSG-QXMLZOKMSA-N
Synonyms
Etiracetam 2-(2-oxopyrrolidin-1-yl)butanamide Etiracetamum alpha-Ethyl-2-oxo-1-pyrrolidineacetamide UCB-6474

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

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