기본 정보
- CAS
6489-97-0- 표준 SMILES
C=N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1- InChIKey
FZECHKJQHUVANE-MCYUEQNJSA-N- 분자식
- C17H19N3O4S
- 평균 분자량
- 361.4 g/mol
- 단동위원소 질량
- 361.10962727
이름 및 식별자
- 우선 이름
- Metampicillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
이름 및 동의어
metampicillin6489-97-0MicinovoViderpenRuticinamethylenampicillinfedacilinapravacilinMetampicilinaMetampicillineMetampicillinaMetampicillinum
이름 더 보기
METHAMPICILLING0H6U7VSTK(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-(methylideneamino)-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEBI:52060NSC-758167(alpha-(Methyleneamino)benzyl)penicillinDTXSID5048479(2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-(methylideneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
데이터베이스 식별자
- CAS
6489-97-0- PubChem CID
- 6713928
- DTXSID
DTXSID5048479- ChEMBL
CHEMBL1908324- ChEBI
CHEBI:52060- UNII
- G0H6U7VSTK
- EC Number
- 229-365-6
- Nikkaji
- J9.598B
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 603
실험 및 물리화학적 성질
Collision Cross Section
183.77 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；171.79 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；178.97 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
GHS 분류
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Sens. 1 (100%)；Resp. Sens. 1 (100%)
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use；J01 - Antibacterials for systemic use；J01C - Beta-lactam antibacterials, penicillins；J01CA - Penicillins with extended spectrum；J01CA14 - Metampicillin
QJ - Antiinfectives for systemic use；QJ01 - Antibacterials for systemic use；QJ01C - Beta-lactam antibacterials, penicillins；QJ01CA - Penicillins with extended spectrum；QJ01CA14 - Metampicillin
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
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