Decarbamylcefoxitin
기본 정보
- CAS
54333-94-7- 표준 SMILES
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]21- InChIKey
ZTFUMAYWSRFLRO-CABCVRRESA-N- 분자식
- C15H16N2O6S2
- 평균 분자량
- 384.4 g/mol
- 단동위원소 질량
- 384.04497858
이름 및 식별자
- 우선 이름
- Decarbamylcefoxitin
- IUPAC
- (6R,7S)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- (6R-cis)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 분자식
- C15H16N2O6S2
- 분자량
- 384.43
이름 및 동의어
Decarbamylcefoxitin54333-94-7Cefoxitin EP Impurity AUNII-JL7RQB0I8TJL7RQB0I8TEINECS 259-108-3Cefoxitin Sodium EP Impurity A(6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7S)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R-CIS)-3-(HYDROXYMETHYL)-7-METHOXY-8-OXO-7-(2-THIENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID(6R,7S)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R-cis)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
이름 더 보기
Cefoxitin Impurity 5Decarbamoyl cefoxitin3'-DecarbamoylcefoxitinCefoxitin Sodium Impurity ACefoxitin Impurity A -C (EP)Decarbamoylcefoxitin Cefoxitin Impurity ACefoxitin EP Impurity A(Decarbamoyl cefoxitin)Cefoxitin Impurity A (EP)(Decarbamoyl cefoxitin)(7S)-3-(Hydroxymethyl)-7-[(2-thenylcarbonyl)amino]-7-methoxycepham-3-ene-4-carboxylic acid
DecarbamoylcefoxitinSCHEMBL5681385ZTFUMAYWSRFLRO-CABCVRRESA-NDB-223240CEFOXITIN SODIUM IMPURITY A [EP IMPURITY]Q27281559(6R,7S)-3-(Hydroxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid1158963-31-5
데이터베이스 식별자
- CAS
54333-94-7- PubChem CID
- 23620315
- UNII
- JL7RQB0I8T
- EC Number
- 259-108-3
- Nikkaji
- J266.866A
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 640
물리화학적 성질
- 끓는 점
- 790.2 · 790.2±60.0 °C(Predicted)
- 밀도
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.79 · 2.79±0.50(Predicted)
- InChI
- InChI=1S/C15H16N2O6S2/c1-23-15(16-10(19)5-9-3-2-4-24-9)13(22)17-11(12(20)21)8(6-18)7-25-14(15)17/h2-4,14,18H,5-7H2,1H3,(H,16,19)(H,20,21)/t14-,15+/m1/s1
- InChIKey
- ZTFUMAYWSRFLRO-CABCVRRESA-N
- SMILES
- N12[C@@]([H])([C@](OC)(NC(CC3SC=CC=3)=O)C1=O)SCC(CO)=C2C(O)=O
화학 및 산업
응용 분야
용도Decarbamylcefoxitin is an impurity of Cefoxitin (C243200), a semi-synthetic antibiotic derived from Cephamycin C, possessing high resistance to β-lactamase inactivation. An antibacterial.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…