기본 정보
- CAS
24209-38-9- 표준 SMILES
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(N)C2SC1- InChIKey
XUTQHTOXGKVJPN-UHFFFAOYSA-N- 분자식
- C10H12N6O3S2
- 평균 분자량
- 328.4 g/mol
- 단동위원소 질량
- 328.04123061
이름 및 식별자
- 우선 이름
- 7-Amino-3-(1-methyltetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid
- IUPAC
- 7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- 7-TMCA
- 분자식
- C10H12N6O3S2
- 분자량
- 328.37
이름 및 동의어
7-Amino-3-(1-methyltetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid7-amino-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidC10H12N6O3S2(6R-trans)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidEINECS 246-078-1MLS006011385SCHEMBL88183767-Amino-3-(1-methyltetrazol-5-ylthiomethyl)-3-cephem-4-carboxylicacidXUTQHTOXGKVJPN-UHFFFAOYSA-N5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-STK182582AKOS000714802
이름 더 보기
(6R,7R)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-TMCA7-TMCA/CAS7-ACA-3-MMT7-TMCA(7-ACT)7-Amino-3-(1-methyltCefmetazole impurityCefminox Impurity 24Intermediate CefmenoximeCefmetazole Impurity-MZ-D
AKOS0220057057-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMR000277965DB-046374SR-01000325001SR-01000325001-17-amino-2-carboxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)-thiomethyl]-8-oxo-5-thia-1-aza-bicyclo[4,2,0]oct-2-ene7-amino-2-carboxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)thiomethyl]-8-oxo-5-thia-1-aza-bicyclo[4,2,0]oct-2-ene
물성
구조 계산 물성
- XLogP
- -3.6
- 극성 표면적
- 178 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 515
물리화학적 성질
- 녹는점
- 224 · 224-226 °C
- 끓는 점
- 695.2 · 695.2±65.0 °C(Predicted)
- 밀도
- 2.04 · 2.04±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 산수용성(약간 용해됨), 염기성수용성(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.54 · 2.54±0.50(Predicted)
- 색상
- 회백색
- InChI
- InChI=1S/C10H12N6O3S2/c1-15-10(12-13-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)/t5-,8-/m1/s1
- InChIKey
- XUTQHTOXGKVJPN-SVGQVSJJSA-N
- SMILES
- N12[C@@]([H])([C@H](N)C1=O)SCC(CSC1N(C)N=NN=1)=C2C(O)=O
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
용도7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is a cephalosporin derivative with antibacterial activity. 7-Amino-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid is an intermediate in the preparation of Cefmetazole (C242850) and other semi-synthetic antibiotics.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
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