Chem
J-GLOBAL ID：200907042718922393   Nikkaji number：J14.224G

6-APA

6-APA
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： C8H12N2O3S
Molecular formula furigana： C8-H12-N2-O3-S
Molecular weight： 216.260
InChI： InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChI key： NGHVIOIJCVXTGV-ALEPSDHESA-N
SMILES： CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O
Systematic name  (10)：
  • (6R)-6-アミノペニシラン酸
  • (2S,5β)-6α-アミノ-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
  • (2β,5β)-6α-アミノ-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
  • 6α-アミノペニシラン酸
  • (5β)-3,3-ジメチル-6α-アミノ-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
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Other name (13)：
  • 6-APA
  • 6-APS
  • (2β,5β)-6α-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
  • 6α-Aminopenicillanic acid
  • (6R)-6-Aminopenicillanic acid
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CAS registry number： 551-16-6
Regulation number (4)：
  • XH8225000
  • EINECS2089934
  • (9)-96
  • TSCA(551-16-6)
KEGG COMPOUND： C02954
Application (1)：
Penicillins
Thsaurus map：
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