Chem
J-GLOBAL ID:200907081948414864
Nikkaji number:J7.741K
Hetacillin
ヘタシリン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C19 H23 N3 O4 S
Molecular formula furigana:
C19-H23-N3-O4-S
Molecular weight:
389.470
InChI:
InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1
InChI key:
DXVUYOAEDJXBPY-NFFDBFGFSA-N
SMILES:
CC1(C)S[C@@H]2[C@H](N3C(=O)[C@H](NC3(C)C)c3ccccc3)C(=O)N2[C@H]1C(=O)O
Systematic name (3):
(2S,5R,6R)-6-[(4R)-2,2-ジメチル-5-オキソ-4-フェニルイミダゾリジン-1-イル]-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
(2S,5β)-6α-[(4R)-2,2-ジメチル-5-オキソ-4-フェニル-1-イミダゾリジニル]-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2β-カルボン酸
(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (16):
ヘタシリン
ベルサペン
フェナザシリン
ペンプレヌーム
BL-P-804
BRL-804
Versapen
Penplenum
Hetacillin
Phenazacillin
ビモシリン
Vimocillin
エタシリン
Etacillin
(2S,5β)-6α-[(4R)-2,2-Dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
(2S,5R,6R)-6-[(4R)-2,2-Dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS registry number:
3511-16-8
Regulation number (2):
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