[email protected]
CAS 1000980-60-8 CEFTAZIDIME IMPURITY A molecular structure lightbox
CAS RN: 1000980-60-8

CEFTAZIDIME IMPURITY A

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1000980-60-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1000980-60-8 / (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

delta-2-Ceftazidime | 1000980-60-8 | UNII-97OBN5O836

Standard CAS: 1000980-60-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000980-60-8
Multi CAS
Yes
Molecular Formula
C22H22N6O7S2
Molecular Weight
546.600000
Exact Mass
546.099139
SMILES
CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)C[N+]4=CC=CC=C4)C(=O)[O-]
InChI
InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,9-10,14-15,18H,8H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,15?,18-/m1/s1
InChIKey
LRKHKETXQNDOKF-YTAHGSIGSA-N
Synonyms
delta-2-Ceftazidime 1000980-60-8 UNII-97OBN5O836 97OBN5O836 DTXSID60142935

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
11
Fraction Csp3
0.32
Rotatable bonds
9
H-bond acceptors
11
H-bond donors
3
Molar refractivity
129.53
TPSA
191.22

LogP / Solubility

WLOGP
-1.3
MLOGP
-1.1
XLogP3
1.7
Consensus LogP
-0.23
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-6.98

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
6

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501

Customers Also Viewed

Get In Touch

Contact Us