3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid

3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid 基本信息
CAS号 76417-04-4 分子式 C19H26ClNO3
分子量 351.86800 精确质量  351.16000
PSA  58.56000 LogP  4.61990

等价的CAS号:

76417-04-4,104871-14-9,104871-16-1,119322-53-1

基本信息 展开↓

CAS号:
76417-04-4
3D弹球模型:
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分子式:
C19H26ClNO3
分子量:
351.86800
英文名称:
3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
英文别名:
3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid;
(-)-virantmycin;
6-Quinolinecarboxylic acid,3-chloro-2-(3,4-dimethyl-3-pentenyl)-1,2,3,4-tetrahydro-2-(methoxymethyl);
6-Quinolinecarboxylic acid,1,2,3,4-tetrahydro-3-chloro-2-(3,4-dimethyl-3-pentenyl)-2-(methoxymethyl)-,(2S-trans)
精确分子量/精确质量:
351.16000
极性分子表面积/PSA:
58.56000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: FWINDTDIQJWMLC-IEBWSBKVSA-N

合成路线查看所有的合成路线

  • 201230-82-2

    carbon monoxide

  • +

  • 586390-86-5

    (2R,3R)-3-chloro-2-(3,4-dimethylpent-3-enyl)-6-iodo-2-methoxymethyl-1,2,3,4-tetrahydroquinoline

  • ~52%

  • 76417-04-4

    3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid

  • 849479-89-6

    tert-butyl (2S)-2-{[methoxy(methyl)amino]carbonyl}indoline-1-carboxylate

  • 76417-04-4

    3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid

  • 197460-36-9

    1H-Indole-1,2-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl)2-methyl ester, (2S)-

  • 76417-04-4

    3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZA4826100
CHEMICAL NAME :
6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-3-chloro-2-(3,4-dimethyl-3-penteny l)- 2-(methoxymethyl)-, (2S-trans)-
CAS REGISTRY NUMBER :
76417-04-4
LAST UPDATED :
199307
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H26-Cl-N-O3
MOLECULAR WEIGHT :
351.91

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 33,1395,1980

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