기본 정보
- CAS
52152-93-9- 표준 SMILES
NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+]- InChIKey
REACMANCWHKJSM-DWBVFMGKSA-M- 분자식
- C22H19N4NaO8S2
- 평균 분자량
- 554.5 g/mol
- 단동위원소 질량
- 554.05420021
개요
Cefsulodin sodium is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Cefsulodin Sodium
- IUPAC
- sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- cefsulodin sodium salt
- 분자식
- C22H20N4O8S2.Na
- 분자량
- 555.54
이름 및 동의어
cefsulodin sodium52152-93-9CEFSULODIN SODIUM SALTSulcephalosporinCefomonilTakesulinTilmaporAbbott-46811Abbott-468 11CGP 7174ESCE 129CGP-7174/E
이름 더 보기
Ulfarsce129ulfaretpyocefalcgp7174emonasporpseudocef
Sodium, CefsulodinCGP-71741E2D087186PYNSC-758163Hydrogen (6R-(6alpha,7beta(R*)))-4-carbamoyl-1-((2-carboxylato-8-oxo-7-(phenylsulphonatoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium, monosodium saltCefsulodin Monosodium SaltRefChem:574979sodium;(6R,7R)-3-((4-carbamoylpyridin-1-ium-1-yl)methyl)-8-oxo-7-(((2R)-2-phenyl-2-sulfonato-acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
데이터베이스 식별자
- CAS
52152-93-9- PubChem CID
- 656644
- ChEMBL
CHEMBL1256939、CHEMBL1590946- ChEBI
CHEBI:31380- UNII
- 2D087186PY
- EC Number
- 257-692-4
물성
구조 계산 물성
- 극성 표면적
- 227 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,040
물리화학적 성질
- 녹는점
- 175 C · 175 C
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명, 밝은 노란색
- 물리적 상태
- 분말 또는 결정
- 색상
- 황백색에서 연한 노란색
- 수용성
- 물에 용해됩니다.
- Merck
- 13 · 13,1958
- 안정성
- 흡습성
- InChIKey
- REACMANCWHKJSM-DWBVFMGKSA-M
- SMILES
- N12C([C@@H](NC(=O)[C@H](S([O-])(=O)=O)C3C=CC=CC=3)[C@H]1SCC(C[N+]1=CC=C(C(=O)N)C=C1)=C2C([O-])=O)=O.[Na+] |&1:2,6,17,r|
- EPA
- 4 · Pyridinium, 4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt, monosodium salt (52152-93-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pyridinium, 4-(aminocarbonyl)-1-[[2-carboxy-8-oxo-7-[(phenylsulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, hydroxide, inner salt, monosodium salt, [6R-[6.alpha.,7.beta.(R*)]]-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Cefsulodine sodium: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UU1785000
- 독성
- LD50 in mice (mg/kg): >4000 i.p.; >15000 orally (Bryskier)
- HS 번호
- 29419059
- risk_code
- 36/37/38-42/43-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 22-26-36/37-45-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
용도 및 제조
General Manufacturing InformationPyridinium, 4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt, sodium salt (1:1): ACTIVE
응용 분야
개요Cefsulodin was synthesized by Takeda Chemicals Industries in 1974 by introducing the sulfobenzyl group, the same moiety as in sulbenicillin, at the 7 position of the cephem nucleus. Its side chain at the 3 position is similar to that of cephaloridine except for the carbamoyl group. The introduction of these hydrophilic groups increases the activity against Pseudomonas aeruginosa, but it markedly decreases it against gram-positive and other gramnegative bacteria. Therefore cefsulodin is used as a specific antibiotic against infections caused by the opportunistic pathogen P. aeruginosa.
용도Cefsulodin is most commonly used in CIN agar to select for Yersinia microorganisms. The compound displays a mechanism of action like many β lactam antibiotics through inhibition of cell wall synthesis by competitively inhibiting penicillin binding protein (PBP) crosslinking of peptidoglycan resulting in inhibition of the final transpeptidation step. Through the inability for Cefsulodin sodium salt hydrate to inhibit cefsulodin-resistant mutants of Pseudomonas aeruginosa PAO4089 growth displayed that Cefsulodin sodium salt hydrate may compete with PBP3 in addition to PBP1A and PBP1B.
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