Basic information
- CAS
66258-76-2- Standard SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O- InChIKey
NBXPLBPWMYNZTC-IDYPWDAWSA-N- Molecular formula
- C23H29N5O8S
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.17368407
Overview
See also: Piperacillin Sodium (annotation moved to); Piperacillin (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Piperacillin monohydrate
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate
- English name
- Piperacillin
- Molecular formula
- C23H29N5O8S
- Molecular weight
- 535.57
Names & synonyms
Piperacillin monohydratePIPERACILLIN MONOHYDRATE [WHO-DD]RefChem:863387Piperacillin hydrate66258-76-2UNII-X00B0D5O0EPiperacillin [USP:INN:BAN]PiperacillinhydratePiperacillin (USP)Piperacillin (hydrate)PIPERACILLIN [VANDF]Piperacillin hydrate (JP18)
Show more names
Piperacillin hydratPiperacillin RSPiperacillin CRSPiperacillin (350 mg)Piperacillin (500 mg)Piperacillin (1541500)PIPERACILLIN USP/EP/BP2-(4-acetylpiperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (acetylpipemidic acid)(2s,5r,6r)-6-[[(2r)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SCHEMBL261048orb2945670HY-B1923ADTXSID90984769PIPERACILLIN HYDRATE [JAN]PIPERACILLIN [USP MONOGRAPH](2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrateNS00078399
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 982
Physicochemical properties
- solubility
- Slightly soluble in water, freely soluble in methanol, slightly soluble in ethyl acetate.
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- NBXPLBPWMYNZTC-IDYPWDAWSA-N
- SMILES
- S1[C@H]2N([C@H](C1(C)C)C(=O)O)C(=O)[C@H]2NC(=O)[C@H](NC(=O)N4CCN(C(=O)C4=O)CC)c3ccccc3.O
- FDA UNII
- 0 B0D5O0E · X00B0D5O0E
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334-H317
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2941106000 · 2941106000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 Skin · Aquatic Chronic 3Skin Sens. 1B
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
- hs_code
- 2941106000
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H334-H317
- Hazard Classifications
- Aquatic Chronic 3Skin Sens. 1B
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesPenicillin antibacterial.
Suppliers27 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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