Metampicillin

HCID 6713928
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基本情報

CAS
6489-97-0
標準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
分子式
C17H19N3O4S
平均分子量
361.4 g/mol
単同位体質量
361.10962727

名称と識別子

優先名称
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

名称と別名

metampicillin6489-97-0MicinovoViderpenRuticinamethylenampicillinfedacilinapravacilinMetampicilinaMetampicillineMetampicillinaMetampicillinum
名称をさらに表示
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

データベース識別子

CAS
6489-97-0
PubChem CID
6713928
DTXSID
DTXSID5048479
ChEMBL
CHEMBL1908324
ChEBI
CHEBI:52060
UNII
G0H6U7VSTK
EC Number
229-365-6
Nikkaji
J9.598B

物性

構造計算による物性

XLogP
3
極性表面積
124 Ų
水素結合供与体数
2
水素結合受容体数
6
回転可能結合数
5
重原子数
25

実験および物理化学的性質

Collision Cross Section · 1 件

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]

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Sens. 1 (100%)；Resp. Sens. 1 (100%)

化学と産業

薬理情報

ATC Code · 2 件

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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