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3-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-

HCID 3051695
노트반응
기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
67681-84-9
표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)cc21
InChIKey
IKDSIKIBLPIUKA-UHFFFAOYSA-N
분자식
C16H18ClN3O3
평균 분자량
335.78 g/mol
단동위원소 질량
335.1036691

이름 및 식별자

우선 이름
3-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-
IUPAC
6-chloro-1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
영어명
6-Chloro-1-Ethyl-4-Oxo-7-(Piperazin-1-yl)-1,4-Dihydroquinoline-3-Carboxylic acid
분자식
C16H18ClN3O3
분자량
335.79

이름 및 동의어

67681-84-93-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-DTXSID40217978RefChem:1068777DTXCID901404696-Chloro-1-Ethyl-4-Oxo-7-(Piperazin-1-yl)-1,4-Dihydroquinoline-3-Carboxylic acidNorfloxacin EP Impurity F6-chloro-1-ethyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acidU77JYB68HV1,4-Dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acidUNII-U77JYB68HV6-Chloro-1-ethyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)quinoline-3-carboxylic acid
이름 더 보기
Norfloxacin Impurity 83-Quinolinecarboxylic acid, 6-chloro-1-ethyl-1,4-dihydro-4-oxo-7-(1-piperazinyl)-6-Chloro-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (Norfloxacin Impurity)
CHEMBL1192299SCHEMBL10753542IKDSIKIBLPIUKA-UHFFFAOYSA-NDB-263827NORFLOXACIN IMPURITY F [EP IMPURITY]Norfloxacin EP Impurity F(Discontinued,See C4X-146826)1-ethyl-6-chloro-7-(1-piperazinyl)-4-oxo-1,4-dihydoquinoline-3-carboxylic acid1-ethyl-6-chloro-7-(1-piperazinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

물성

구조 계산 물성

XLogP
-0.5
극성 표면적
72.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
23
형식 전하
0
복잡도
519

물리화학적 성질

끓는 점
586.4 · 586.4±50.0 °C(Predicted)
밀도
1.369 · 1.369±0.06 g/cm3(Predicted)
산도 계수 (pKa)
0.1 · 0.10±0.20(Predicted)

화학 및 산업

공급사43 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
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Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
孟成科技(上海)有限公司400-820-6829 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
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BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]

관련 반응

8건
반응 기록 만들기
HRID 176075 반응식
HRID 176075생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 544223 반응식
HRID 544223반응물로uspto-grants-1984_05
HRID 544224 반응식
HRID 544224반응물로uspto-grants-1984_05
HRID 544225 반응식
HRID 544225반응물로uspto-grants-1984_05
HRID 544226 반응식
HRID 544226반응물로uspto-grants-1984_05
HRID 1234050 반응식
HRID 1234050반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1578258 반응식
HRID 1578258생성물로uspto-grants-1981_09
HRID 2340756 반응식
HRID 2340756반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
67681-84-9
PubChem CID
3051695
DTXSID
DTXSID40217978
ChEMBL
CHEMBL1192299
UNII
U77JYB68HV
Nikkaji
J981.007B
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