Chem
J-GLOBAL ID：200907090907920851   Nikkaji number：J21.368C

BRL-17421

(6S)-6-[(ソジオオキシカルボニル-3-チエニルアセチル)アミノ]-6-メトキシペニシラン酸ナトリウム
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： C16H16N2Na2O7S2
Molecular formula furigana： C16-H16-N2-NA2-O7-S2
Molecular weight： 458.410
InChI： InChI=1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/q;2*+1/p-2/t8?,9-,14+,16-;;/m0../s1
InChI key： MRGCZDWBFFUEES-CWBCWDDISA-L
SMILES： CO[C@]1(NC(=O)C(C(=O)O[Na])c2ccsc2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O[Na]
Systematic name  (3)：
  • (6S)-6-[(ソジオオキシカルボニル-3-チエニルアセチル)アミノ]-6-メトキシペニシラン酸ナトリウム
  • ナトリウム (2S,5R,6S)-6-メトキシ-3,3-ジメチル-7-オキソ-6-[3-オキソ-3-(ソジオオキシ)-2-(チオフェン-3-イル)プロパンアミド]-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボキシラート
  • sodium (2S,5R,6S)-6-methoxy-3,3-dimethyl-7-oxo-6-[3-oxo-3-(sodiooxy)-2-(thiophen-3-yl)propanamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Other name (2)：
  • BRL-17421
  • (6S)-6-[(Sodiooxycarbonyl-3-thienylacetyl)amino]-6-methoxypenicillanic acid sodium salt
CAS registry number： 61545-06-0
Regulation number (1)：
  • EINECS2628359
KEGG DRUG： D08567
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