CAS 92739-15-6 Cefoperasone mixture with sulbactam (HCID 130312)

기본 정보

CAS: 92739-15-6
표준 SMILES: CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O.CCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
InChIKey: WIKQLQXZUYAZQC-KYNIKAHCSA-N
분자식: C33H38N10O13S3
평균 분자량: 878.9 g/mol
단동위원소 질량: 878.17819483

이름 및 식별자

우선 이름: Cefoperasone mixture with sulbactam
IUPAC: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
현지명: 설페라존
영어명: sulperazone
분자식: C33H38N10O13S3
분자량: 878.9

이름 및 동의어

RefChem:1081317SulperazoneSulperazon92739-15-6CefactamJincetamBacampCefoperasone-sulbactam mixt.(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-, mixt. with (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxideSulperazon - API StandardsSCHEMBL1649819

이름 더 보기

설페라존SupelzonSulpezoleSultamuginCefoperasone mixture with sulbactamSulbactam sodium·cefoperazone sodium

물성

구조 계산 물성

극성 표면적: 371 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 18
회전 가능 결합 수: 10
무거운 원자 수: 59
형식 전하: 0
복잡도: 1,690

화학 및 산업

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