新生霉素

新生霉素 基本信息
CAS号 303-81-1 分子式 C31H36N2O11
分子量 612.62400 精确质量 　612.23200
PSA 　200.01000 LogP 　4.40040
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等价的CAS号：

303-81-1,107781-69-1
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
303-81-1
3D弹球模型：
立即前往扯扯看
分子式：
C31H36N2O11
分子量：
612.62400
中文名称：
新生霉素
英文名称：
novobiocin
中文别名：
新生霉素;
1-propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-;
206-145-8;
3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine;
303-53-7;
9715 R.P.;
cyclobenzaprine;
N-(3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)propyl)-N,N-dimethylamine;
3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine;
3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine;
Chlorimipramine;
Clomipramine;
1-methyl-3-oxoandrost-1-en-17-yl heptanoate;
(5alpha,17beta)-1-methyl-3-oxoandrost-1-en-17-yl heptanoate;
MethenoloneEnanthane;
Methenolone Enanthate;
PYROCATECHOL-3-CARBOXYLIC ACID;
O-PYROCATECHUIC ACID;
TIMTEC-BB SBB008367;
RARECHEM AL BE 0035;
2,3-Dihydroxybenzoic acid;
Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate;
sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate;
cholan-24-oic acid, 3-hydroxy-, monosodium salt, (3alpha,5beta)-;
oxoniomethyl;
sodium 3-α,12-α-dihydroxy-5-β-cholan-24-oate;
Xanthotoxin;
xanthoxin;
zanthotoxin;
9-methoxy-7H-furo[3,2-g]chromen-7-one;
Methoxsalen;
Sol
英文别名：
novobiocin;
Novobiocin;
Notonesomycin
精确分子量/精确质量：
612.23200
极性分子表面积/PSA：
200.01000
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。
EINECS：
206-146-3
InChI：
InChI=1/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

物化性质展开↓

密度：
1.42g/cm3
沸点：
848.2ºC at 760mmHg
闪点：
466.8ºC

合成路线查看所有的合成路线

  • 1476-53-5

    新生霉素纳

  • →

    ~99%

  • 303-81-1

    新生霉素

  • 1445875-24-0

    1445875-24-0

  • →

    ~58%

  • 303-81-1

    新生霉素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU9080000
CHEMICAL NAME :
Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-met hyl-beta-L-lyxo- hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benz opyran-3-yl)-4-hydrox y- 3-(3-methyl-2-butenyl)-
CAS REGISTRY NUMBER :
303-81-1
LAST UPDATED :
199410
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C31-H36-N2-O11
MOLECULAR WEIGHT :
612.69
WISWESSER LINE NOTATION :
T66 BOVJ DMVR DQ C2UY1&1& EQ J1 IO- FT6OTJ B1 B1 CV1 DOVZ EQ &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human
DOSE/DURATION :
171 mg/kg/12D-C
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - conjunctive irritation Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
262 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
407 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
200 mg/L
REFERENCE :
CHROAU Chromosoma. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1939- Volume(issue)/page/year: 85,603,1982

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