CAS 75679-12-8 Cefotaxime Impurity 18 (HCID 14673053)

기본 정보

CAS: 75679-12-8
표준 SMILES: CO/N=C(\C(=O)N[C@H](C(=O)O)[C@@H]1NC2=C(COC2=O)CS1)c1csc(N)n1
InChIKey: PHVYYFCTZOZQCX-KTFFUYHOSA-N
분자식: C14H15N5O6S2
평균 분자량: 413.4 g/mol
단동위원소 질량: 413.04637556

이름 및 식별자

우선 이름: Cefotaxime Impurity 18
IUPAC: (2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-[(2R)-7-oxo-1,2,4,5-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]acetic acid
영어명: [R-[R*,R*-(Z)]]-α-[[(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-1,2,5,7-tetrahydro-7-oxo-4H-Furo[3,4-d][1,3]thiazine-2-acetic Acid
분자식: C14H15N5O6S2
분자량: 413.43

이름 및 동의어

75679-12-8Cefotaxime Impurity 18Desacetylcefotaxime lactone M26KJV35Q75EUNII-6KJV35Q75ECefotaxime Impurity 14(2R)-2-(((2Z)-2-(2-Aminothiazol-4-yl)-2-methoxyimino-acetyl)amino)-2-((2R)-7-oxo-1,2,4,5-tetrahydrofuro(3,4-d)(1,3)thiazin-2-yl)acetic acid(R)-2-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-2-((R)-7-oxo-2,4,5,7-tetrahydro-1H-furo[3,4-d][1,3]thiazin-2-yl)acetic acidMethoxyimino Cefotaxime4H-Furo(3,4-d)(1,3)thiazine-2-acetic acid, alpha-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-1,2,5,7-tetrahydro-7-oxo-, (R-(R*,R*-(Z)))-[R-[R*,R*-(Z)]]-alpha-[[(2-Amino-4-thiazolyl)(methoxyimino)acetyl]amino]-1,2,5,7-tetrahydro-7-oxo-4H-Furo[3,4-d][1,3]thiazine-2-acetic AcidDISCONTINUED4H-FURO(3,4-D)(1,3)THIAZINE-2-ACETIC ACID, .ALPHA.-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-1,2,5,7-TETRAHYDRO-7-OXO-, (R-(R*,R*-(Z)))-

이름 더 보기

Cefotaxime lactoneCefoperazone LactoneCefotaxime Impurity NCefotaxime Ring-Opening LactoneCefotaxime open cycle lincosamide

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 219 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 12
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 714

물리화학적 성질

밀도: 1.89 · 1.89±0.1 g/cm3(Predicted)
산도 계수 (pKa): 2.73 · 2.73±0.10(Predicted)
InChIKey: PHVYYFCTZOZQCX-KTFFUYHOSA-N
SMILES: S1CC2COC(=O)C=2N[C@H]1[C@H](NC(/C(/C1=CSC(N)=N1)=N\OC)=O)C(O)=O

화학 및 산업

공급사26 곳

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

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

Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]

山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]

佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

화합물 노트

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Cefotaxime Impurity 18