Open-ring desulfated aztreonam

HCID 71587392CAS 102586-36-7

기본 정보

표준 SMILES: C[C@H](N)[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c1csc(N)n1)C(=O)O
InChIKey: VWNDKSPHIKVWBM-VQSOLXJISA-N
분자식: C13H19N5O6S
평균 분자량: 373.39 g/mol

이름 및 식별자

우선 이름: Open-ring desulfated aztreonam
IUPAC: (2S,3S)-3-amino-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]butanoic acid
영어명: Aztreonam Impurity B
분자식: C13H19N5O6S
분자량: 373.38

이름 및 동의어

Open-ring desulfated aztreonam102586-36-7UNII-D2GEP437EQD2GEP437EQAztreonam Impurity B(2S,3S)-3-amino-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]butanoic acidButanoic acid, 3-amino-2-(((2Z)-2-(2-amino-4-thiazolyl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-, (2S,3S)-(2S,3S)-3-amino-2-((Z)-2-(2-aminothiazol-4-yl)-2-(((2-carboxypropan-2-yl)oxy)imino)acetamido)butanoic acid(2S,3S)-3-Amino-2-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]acetyl]amino]butAztreonam USP RC B(Open-ring Desulfated Aztreonam)Q27276015(2S,3S)-3-AMINO-2-((Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(2-CARBOXYPROPAN-2-YLOXYIMINO)ACETAMIDO(BUTANOIC ACID

이름 더 보기

Aztreonam USP RC BVitamin B6 Impurity 74VWNDKSPHIKVWBM-VQSOLXJISA-NAztreonam Impurity B TFA saltAmpicillin Tert-butylamide USP Impurity BOpen ring desulfurization of ammonium citrateOpen-ring de-sulfonated aztreonam (impurity B)Aztreonam USP Related Compound B Monosodium SaltAztreonam USP RC B (open-ring deaminated aztreonam)Aztreonam USP Related Compound B (Open-ring Desulfated Aztreonam)

BUTANOIC ACID, 3-AMINO-2-(((2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-, (S-(R*,R*-(Z)))-BUTANOIC ACID, 3-AMINO-2-(((2Z)-(2-AMINO-4-THIAZOLYL)((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-, (2S,3S)-

데이터베이스 식별자

CAS: 102586-36-7
PubChem CID: 71587392
UNII: D2GEP437EQ

물성

구조 계산 물성

XLogP: -2.3
극성 표면적: 218 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 11
회전 가능 결합 수: 8
무거운 원자 수: 25
형식 전하: 0
복잡도: 569

물리화학적 성질

밀도: 1.61 · 1.61±0.1 g/cm3(Predicted)
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.35 · 2.35±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 흡습성
InChIKey: VWNDKSPHIKVWBM-VQSOLXJISA-N
SMILES: C(O)(=O)[C@@H](NC(/C(/C1=CSC(N)=N1)=N\OC(C(O)=O)(C)C)=O)[C@@H](N)C

화학 및 산업

공급사44 곳

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

深圳鼎邦化学品有限公司15616500668 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

济南启源生物科技有限公司18766124282; 18766124282 · [email protected]

연결된 노트

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