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CAS 97164-54-0 Ceftriaxone SodiuM E-IsoMer molecular structure lightbox
CAS RN: 97164-54-0

Ceftriaxone SodiuM E-IsoMer

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS97164-54-0
  • Purity/Analytical Methods: >99.0%
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97164-54-0 / disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Standard CAS: 97164-54-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97164-54-0
Multi CAS
Yes
Molecular Formula
C18H16N8NA2O7S3
Molecular Weight
598.600000
Exact Mass
598.009947
InChI
InChI=1S/C18H18N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15-;;/m1../s1
InChIKey
FDRNWTJTHBSPMW-BBJOQENWSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
2
Molar refractivity
124.57
TPSA
220.88

LogP / Solubility

WLOGP
-9.16
MLOGP
-8.01
XLogP3
-9.16
Consensus LogP
-8.78
Log S (ESOL)
2.53
Class (ESOL)
Highly soluble
Log S (Ali)
2.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.09
Class (SILICOS-IT)
Highly 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)
-12.87

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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