Chem
J-GLOBAL ID:200907036787361468
Nikkaji number:J13.969F
Penicillin X
ペニシリンX
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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:
C16 H18 N2 O5 S
Molecular formula furigana:
C16-H18-N2-O5-S
Molecular weight:
350.390
InChI:
InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1
InChI key:
AZCVBVRUYHKWHU-MBNYWOFBSA-N
SMILES:
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
Systematic name (5):
6α-[[(4-ヒドロキシベンジル)カルボニル]アミノ]ペニシラン酸
6α-[(4-ヒドロキシフェニル)アセチルアミノ]ペニシラン酸
(2S,5β)-6α-[[(4-ヒドロキシフェニル)アセチル]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
(2S,5R,6R)-6-[2-(4-ヒドロキシフェニル)アセトアミド]-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,5R,6R)-6-[2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (8):
ペニシリンX
Penicillin X
Penicillin III
4-Hydroxybenzylpenicillin
ペニシリンIII
4-ヒドロキシベンジルペニシリン
(2S,5β)-6α-[[(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
6α-[(4-Hydroxyphenyl)acetylamino]penicillanic acid
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CAS registry number:
525-91-7
Regulation number (1):
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