CAS RN: 37091-65-9
Azlocillin sodium
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4 package records4 with current stock2 grade groups
- Product code: starshine_CAS37091-65-9
- Purity/Analytical Methods: >99.0%
37091-65-9 / sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Basic Information
CAS
37091-65-9
Multi CAS
Yes
Molecular Formula
C20H22N5NAO6S
Molecular Weight
483.500000
Exact Mass
483.118849
InChI
InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
InChIKey
UVOCNBWUHNCKJM-XFAPPKAWSA-M
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
110.85
TPSA
150.98
LogP / Solubility
WLOGP
-4.24
MLOGP
-3.69
XLogP3
-4.24
Consensus LogP
-4.06
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.11
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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