Basic information
- CAS
147816-24-8- Standard SMILES
CC/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1.Cl.O- InChIKey
LUXIJPQYUCFVAL-XRLCNELCSA-N- Molecular formula
- C23H32ClN5O9S2
- Average molar mass
- 622.1 g/mol
- Monoisotopic mass
- 621.1329977
Overview
Cefcapene Pivoxil Hydrochloride Hydrate is the hydrate hydrochloride salt form of cefcapene pivalate, a prodrug and third-generation cephalosporin with antibacterial activity. After oral administration of cefcapene pivoxil hydrochloride hydrate the ester bond is cleaved, releasing active cefcapene.
Names & identifiers
- Preferred name
- Cefcapene Pivoxil Hydrochloride Hydrate
- IUPAC
- 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate;hydrochloride
- English name
- Cefcapene pivoxil hydrochloride monohydrate
- Molecular formula
- C23H32ClN5O9S2
- Molecular weight
- 622.11
Names & synonyms
147816-24-8Cefcapene pivoxil hydrochloride monohydrateCefcapene pivoxil hydrochloride hydrateV16A6AYI9HS 1108S-1108J01DD175-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester,(6R-(6-alpha,7-beta(Z)))-, monohydrochloride, hydrate5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-(((2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, (6R,7R)-5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(6alpha,7beta(Z)))-RefChem:124216Pivaloyloxymethyl ()-(6R,7R)-7-((Z)-2-(2-amino-4-thiazolyl)-2-pentenamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid Carbamate Monohydrochloride Monohydrate
Properties
Computed structural properties
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Melting point
- 158 · 158-164°C
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Sparingly)
- form
- Solid
- color
- White to Off-White
- InChIKey
- LUXIJPQYUCFVAL-XRLCNELCSA-N
- SMILES
- C(C1=C(CS[C@]2([H])[C@H](NC(=O)/C(/C3N=C(N)SC=3)=C\CC)C(=O)N12)COC(=O)N)(=O)OCOC(=O)C(C)(C)C.Cl.O |&1:5,7,r|
- FDA UNII
- 16 A6AYI9H · V16A6AYI9H
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- RTECS
- 325000 · XI0325000
- HS Code
- 2941.9 · 2941.90.5000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- rtecs
- XI0325000
- hs_code
- 2941.90.5000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesAntibacterial. Orally absorbed cephalosporin; ester prodrug of the active free acid metabolite, cefcapene
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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