기본 정보
- CAS
59703-84-3- 표준 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.[Na+]- InChIKey
WCMIIGXFCMNQDS-IDYPWDAWSA-M- 분자식
- C23H26N5NaO7S
- 평균 분자량
- 539.5 g/mol
- 단동위원소 질량
- 539.14506364
개요
Piperacillin sodium is an organic sodium salt. It contains a piperacillin(1-).
이름 및 식별자
- 우선 이름
- Piperacillin Sodium
- IUPAC
- sodium (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-carboxylate
- 영어명
- Piperacillin sodium salt
- 분자식
- C23H26N5NaO7S
- 분자량
- 540.55
이름 및 동의어
PIPERACILLIN SODIUM59703-84-3PipracilPIPERACILLIN SODIUM SALTSodium piperacillinPenmalinPiperacillin (as sodium)PiprilPentacillinPiperacilIsipenCL 227,193
이름 더 보기
t1220C07361cl227193pentcillinPIPERACILLIN NADBL PiperacillinsodiumpiperacillinPEPERACILLIN SODIUM
M98T69Q7HPT-1220Cl-227193NSC-757277CHEBI:8233CL 227, 193Sodium (2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylateDTXSID6048965
데이터베이스 식별자
- CAS
59703-84-3- PubChem CID
- 23666879
- DTXSID
DTXSID6048965- ChEMBL
CHEMBL1200820- ChEBI
CHEBI:8233- UNII
- M98T69Q7HP
물성
구조 계산 물성
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 989
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section223 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 183 · 183-185 C (dec.)
- 끓는 점
- 793 ℃ · 793℃
- 굴절률
- 180 ° · 180 ° (C=0.8, H2O)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명, 무색 ~ 희미한 노란색
- 물리적 상태
- Solid
- 색상
- 흰색에서 거의 흰색
- 수용성
- 에탄올, 물, 메탄올에 용해됩니다.
- Merck
- 14 · 14,7463
- BRN
- 5373920 · 5373920
- 안정성
- 흡습성
- 주요 응용
- 법의학 및 독성학의약품(소분자)
- InChIKey
- WCMIIGXFCMNQDS-IDYPWDAWSA-M
- SMILES
- [C@H]12SC(C)(C)[C@H](C([O-])=O)N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1C=CC=CC=1.[Na+] |&1:0,5,12,16,r|
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (2 of 8) of reports.
Danger
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety Information
IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (62.5%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Piperacillin sodium
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 2
- rtecs
- XI0180000
- 독성
- LD50 in mice, rats, dogs, monkeys (g/kg): 5, 2.7, >6, >4 i.v. (Takai)
- HS 번호
- 29411099
- risk_code
- 42/43
- hazard_code
- Xn
- safety_code
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
응용 분야
개요Piperacillin was synthesized by Toyama Chemicals Company in 1976by acylation of the amino residue of ampicillin. It shows excellent activity against a wide range of grampositive and gram-negative bacteria and has been used as the most potent semisynthetic penicillin. Piperacillin is administered intravenously or intramuscularly for therapy of sepsis, meningitis, respiratory and urinary tract infections, and for abdominal infections caused by Staphylococcus, Streptococcus, Escherichia coli, Klebsiella, Haemophilus influenzae, Serratia marcescens, Pseudomonas aeruginosa, Proteus, Enterobacter, Citrobacter, and Bacteroides.
용도A broad spectrum antibiotic targeting a wide range of susceptible gram positive and gram negative bacteria. Piperacillin sodium salt is an antibiotic. It is used in pharmacokinetic studies to optimize antimicrobial therapy and in hypersensitivity reactions. It is involved in the study of multidrug-resistant organisms. It acts as an antibiotic related to penicillin.
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
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