Chem
J-GLOBAL ID:200907089631751505
Nikkaji number:J13.353A
CP-33994
ピルベニシリンナトリウム
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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:
C24 H25 N6 NaO5 S
Molecular formula furigana:
C24-H25-N6-NA-O5-S
Molecular weight:
532.550
InChI:
InChI=1S/C24H26N6O5S.Na/c1-24(2)18(23(34)35)30-21(33)17(22(30)36-24)29-20(32)16(13-6-4-3-5-7-13)28-15(31)12-27-19(25)14-8-10-26-11-9-14;/h3-11,16-18,22H,12H2,1-2H3,(H2,25,27)(H,28,31)(H,29,32)(H,34,35);/q;+1/p-1/t16-,17-,18+,22-;/m1./s1
InChI key:
LWRGPIPUJPCPAY-HSRLECSKSA-M
SMILES:
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CNC(=N)c3ccncc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O[Na]
Systematic name (3):
6α-[(R)-2-[2-[(イミノ-4-ピリジルメチル)アミノ]アセチルアミノ]-2-フェニルアセチルアミノ]ペニシラン酸ナトリウム
ナトリウム (2S,5R,6R)-3,3-ジメチル-7-オキソ-6-[(2R)-2-フェニル-2-{2-[(ピリジン-4-イル)メタンイミドアミド]アセトアミド}アセトアミド]-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,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-phenyl-2-{2-[(pyridin-4-yl)methanimidamido]acetamido}acetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Other name (4):
ピルベニシリンナトリウム
CP-33994
Pirbenicillin sodium
6α-[(R)-2-[2-[(Imino-4-pyridylmethyl)amino]acetylamino]-2-phenylacetylamino]penicillanic acid sodium salt
CAS registry number:
55162-26-0
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