头孢菌素 C

头孢菌素 C 基本信息
CAS号 61-24-5 分子式 C16H21N3O8S
分子量 415.42170 精确质量  415.10494
PSA  205.12000 LogP  0.34880

基本信息 展开↓

CAS号:
61-24-5
3D弹球模型:
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分子式:
C16H21N3O8S
分子量:
415.42170
中文名称:
头孢菌素 C
英文名称:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, (6R,7R)-
中文别名:
头孢菌素 C;
头孢菌素C
英文别名:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-, (6R,7R)-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-oxopentyl)amino]-8-oxo-, [6R-[6α,7β(R*)]]-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester) (8CI);
Cephalosporin C (6CI);
(6R,7R)-3-[(Acetyloxy)methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
精确分子量/精确质量:
415.10494
极性分子表面积/PSA:
205.12000
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: HOKIDJSKDBPKTQ-PSADTEFUSA-N

物化性质展开↓

沸点:
814.7ºC at 760 mmHg
闪点:
446.5ºC

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI0331650
CHEMICAL NAME :
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3- (hydroxymethyl)-8-oxo-, acetate (ester)
CAS REGISTRY NUMBER :
61-24-5
BEILSTEIN REFERENCE NO. :
0065348
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H21-N3-O8-S
MOLECULAR WEIGHT :
415.46
WISWESSER LINE NOTATION :
T46 ANV ES GUTJ CMV3YZVQ G1OV1 HVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 4(1),96,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.3 mg/m3 JAN 1993

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