[email protected]
CAS 103980-44-5 (6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((furan-2-carbonyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 103980-44-5

(6R,7R)-7-((Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((furan-2-carbonyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250214 100g In stock Inquiry
Batchno.20250514 1g In stock Inquiry
Batchno.20260311 250mg In stock Inquiry
Batchno.20250917 25g In stock Inquiry
Batchno.20250122 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 100g In stock Shenzhen Inquiry
Batchno.20250403 10g In stock Shenzhen Inquiry
Batchno.20250526 1g / 10g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20260107 25g In stock Shenzhen Inquiry
Batchno.20260114 5g Out of stock Inquiry
  • Product code: LINR843994
GET A QUOTE

103980-44-5 / (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride

Ceftiofur hydrochloride | Ceftiofur HCl | Excenel

Standard CAS: 103980-44-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103980-44-5
Multi CAS
Yes
Molecular Formula
C19H18ClN5O7S3
Molecular Weight
560.000000
Exact Mass
559.005689
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O.Cl
InChI
InChI=1S/C19H17N5O7S3.ClH/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);1H/b23-11-;/t12-,16-;/m1./s1
InChIKey
KEQFDTJEEQKVLM-JUODUXDSSA-N
Synonyms
Ceftiofur hydrochloride Ceftiofur HCl Excenel Ceftiofur monohydrochloride U-64279A

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
10
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
3
Molar refractivity
132.5
TPSA
177.42

LogP / Solubility

WLOGP
1.4
MLOGP
1.28
XLogP3
1.4
Consensus LogP
1.36
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.14

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
4

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (60%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (98.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H373 (38.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, and P501

Customers Also Viewed

Get In Touch

Contact Us