CAS RN: 59703-84-3

Piperacillin Sodium Salt

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8 package records7 with current stock2 grade groups
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  • Product code: ICTP1774
  • Purity/Analytical Methods: >98.0%(N)
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59703-84-3 / sodium (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Standard CAS: 59703-84-3 Multi CAS: Yes

Basic Information

CAS
59703-84-3
Multi CAS
Yes
Molecular Formula
C23H26N5NAO7S
Molecular Weight
539.500000
Exact Mass
539.145064
InChI
InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1
InChIKey
WCMIIGXFCMNQDS-IDYPWDAWSA-M

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
124.71
TPSA
159.26

LogP / Solubility

WLOGP
-4.57
MLOGP
-3.98
XLogP3
-4.57
Consensus LogP
-4.37
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.09
Class (SILICOS-IT)
Very 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)
-9.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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