Basic information
- CAS
100988-63-4- Standard SMILES
NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12.[I-]- InChIKey
SZYIIYPUOUTNDY-UHFFFAOYSA-N- Molecular formula
- C13H14IN3O3S
- Average molar mass
- 419.24 g/mol
- Monoisotopic mass
- 418.98006
Overview
See other relationships...
Names & identifiers
- Preferred name
- (6R-trans)-1-((7-Ammonio-2-carboxylato-8-oxo-5-thia-1-azabicyclo-(4.2.0)oct-2-en-3-yl)methyl)pyridinium iodide
- IUPAC
- 7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide
- English name
- 1-[((7R)-7-Amino-4-carboxy-3,4-didehydrocepham-3-yl)methyl]pyridinium iodide
- Molecular formula
- C13H14IN3O3S
- Molecular weight
- 419.24
Names & synonyms
(6R-trans)-1-((7-Ammonio-2-carboxylato-8-oxo-5-thia-1-azabicyclo-(4.2.0)oct-2-en-3-yl)methyl)pyridinium iodide(6R-trans)-1-((7-ammonio-2-carboxylato-8-oxo-5-thia-1-azabicyclo-[4.2.0]oct-2-en-3-yl)methyl)pyridinium iodideRefChem:405225423-260-07-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;iodideDTXSID60275651NS000230111-[((7R)-7-AMINO-4-CARBOXY-3,4-DIDEHYDROCEPHAM-3-YL)METHYL]PYRIDINIUM IODIDE1-[(7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium iodideCeftazidime EP Imp C7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic Acid Hydroiodide1-(((6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)pyridin-1-ium Iodide
Show more names
(6R,7R)-7-Amino-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydroiodide
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Melting point
- 147 °C · >147°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- color
- Light Orange to Very Dark Brown
- FDA UNII
- 9113 PML9Z · G9113PML9Z
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H341-H411
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: (6R-trans)-1-((7-Ammonio-2-carboxylato-8-oxo-5-thia-1-azabicyclo-(4.2.0)oct-2-en-3-yl)methyl)pyridinium iodide (EC: 423-260-0)
Hazard Classes and Categories
Skin Sens. 1 (100%)
Muta. 2
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Hazard statements
- H317-H341-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
Uses7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic acid Hydroiodide, is an impurity of Ceftazidime (C244100). Ceftazidime impurity B.
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
0 records
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Compound notes
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