Chem
J-GLOBAL ID:200907000997041356
Nikkaji number:J9.799C
Epicillin
エピシリン
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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:
C16 H21 N3 O4 S
Molecular formula furigana:
C16-H21-N3-O4-S
Molecular weight:
351.420
InChI:
InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
InChI key:
RPBAFSBGYDKNRG-NJBDSQKTSA-N
SMILES:
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(=O)O
Systematic name (4):
(2S,5β)-6α-[[(R)-アミノ(1,4-シクロヘキサジエン-1-イル)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
6α-[[(R)-2-アミノ-2-(1,4-シクロヘキサジエン-1-イル)アセチル]アミノ]ペニシラン酸
(2S,5R,6R)-6-[(2R)-2-アミノ-2-(シクロヘキサ-1,4-ジエン-1-イル)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-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (12):
エピシリン
SQ-11302
Epicillin
デクサシリン
Dexacillin
デキサシリン
(2S,5β)-6α-[[(R)-Amino(1,4-cyclohexadien-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid
6α-[[(R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]penicillanic acid
オムニサン
スペクタシリン
Omnisan
Spectacillin
Show all
CAS registry number:
26774-90-3
Regulation number (1):
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