Bacampicillin Hydrochloride

HCID 441398

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37661-08-8
표준 SMILES: CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl
InChIKey: IWVTXAGTHUECPN-ANBBSHPLSA-N
분자식: C21H28ClN3O7S
평균 분자량: 502 g/mol
단동위원소 질량: 501.1336491

이름 및 식별자

우선 이름: Bacampicillin Hydrochloride
IUPAC: 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
영어명: Bacampicillin hydrochloride
분자식: C21H28ClN3O7S
분자량: 501.98

이름 및 동의어

Bacampicillin hydrochloride37661-08-8bacampicillin HClSpectrobidAmbaxinDTXSID0045466Becampicillin hydrochloridePM034U953TNSC-758228CHEBI:2969DTXCID80254661-ethoxycarbonyloxyethyl (2S,5R,6R)-6-(((2R)-2-amino-2-phenyl-acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;hydrochloride

이름 더 보기

bapcbacacilPengoodpenglobeBacampicinebecampicillin

1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochlorideRefChem:57086Bacampicillin-hydrochloride1-Ethoxycarbonyloxyethyl (2S,5R,6R)-6-((2R)-2-amino-2-phenylacetylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate monohydrochlorideBacampicillin (hydrochloride)1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-,1-[(ethoxycarbonyl)oxy]ethyl ester, hydrochloride (1:1), (2S,5R,6R)-Ambacamp

데이터베이스 식별자

CAS: 37661-08-8
PubChem CID: 441398
DTXSID: DTXSID0045466
ChEMBL: CHEMBL1200965
UNII: PM034U953T
EC Number: 253-580-4

물성

구조 계산 물성

극성 표면적: 163 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 10
무거운 원자 수: 33
형식 전하: 0
복잡도: 756

실험 및 물리화학적 성질

Collision Cross Section199 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；220.8 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 171 · 171-176° (dec)
저장 조건: -20 °C · Store at -20°C
용해도: 물에 용해되고, 에탄올(96%)에 잘 용해되며, 염화메틸렌에 용해됩니다.
물리적 상태: Solid
색상: 2 CO에서 · 석유 에테르Me2CO에서 얻은 결정

화학적 성질

White or almost white powder or granules, hygroscopic.

안전 및 규제

안전 데이터

독성: LD50 in mice (mg/kg): 8529 orally; 176 i.p.; 9475 s.c.; 184 i.v. (Edanaga)
기존화학 물질: KE-05-0122

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.

응용 분야 · 2건

개요Bacampicillin was synthesized by Ekstrom¨ et al. of Astra Lakemedel in 1975. It is ¨ more stable against acid than ampicillin and more rapidly absorbed orally; its absorption is less affected by a patient’s most recent meal than is the case for ampicillin. Bacampicillin is hydrolyzed by intestinal esterase after oral administration and then behaves the same as ampicillin. In double-blind comparison studies, bacampicillin was shown to be as effective as ampicillin when administered at half the dose.

용도Bacampicillin is a penicillin class of antibiotic. Bacampicillin is a prodrug of ampicillin (A634300) with improved oral bioavailability.

상·하류 제품 정보

상류 원료

수소 Palladium hydroxide 중탄산나트륨(중조)

공급사29 곳

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추가 설명

정의ChEBI: The hydrochloride salt of bacampicillin.

화합물 노트

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