美坦新

美坦新 基本信息
CAS号 35846-53-8 分子式 C34H46ClN3O10
分子量 692.19600 精确质量  691.28700
PSA  156.47000 LogP  3.92820

等价的CAS号:

35846-53-8,70774-04-8,112244-10-7,112317-31-4

基本信息 展开↓

CAS号:
35846-53-8
3D弹球模型:
立即前往扯扯看
分子式:
C34H46ClN3O10
分子量:
692.19600
中文名称:
美坦新
英文名称:
maytansine
中文别名:
美坦新;
美登素
英文别名:
maytansine;
maitansine;
(3E,5E,7R,84S)-12c-(N-acetyl-N-methyl-L-alanyloxy)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84r'H,86c'H)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5-diene-82,14-dione;
Maytansine
精确分子量/精确质量:
691.28700
极性分子表面积/PSA:
156.47000
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:
252-754-7
InChI:
The Key: WKPWGQKGSOKKOO-SIBNOYASSA-N

物化性质展开↓

密度:
1.32g/cm3
熔点:
183.5-184℃
沸点:
895.1ºC at 760mmHg
闪点:
495.1ºC
折射率:
1.59

合成路线查看所有的合成路线

  • 64817-73-8

    64817-73-8

  • ~95%

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    美坦新

  • 75340-68-0

    (-)-maytansinol

  • 35846-53-8

    美坦新

  • 75349-68-7

    (5S,6E,8S,9S,12R,13E,15E)-5-((tert-butyldimethylsilyl)oxy)-6-chloro-5,12-dimethoxy-2,6,8,16-tetramethyl-3-oxospiro[2-aza-1(1,3)-benzenacycloheptadecaphanene-11,2'-[1,3]dithiane]-6,13,15-trien-9-yl carbamate

  • 35846-53-8

    美坦新

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OQ2290000
CHEMICAL NAME :
Maytansine
CAS REGISTRY NUMBER :
35846-53-8
LAST UPDATED :
199801
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C34-H46-Cl-N3-O10
MOLECULAR WEIGHT :
692.28
WISWESSER LINE NOTATION :
T D3 K6-19-6 A K- EO IVN WNVO QU SUTJ C1 GOVY1&N1&V1 J1 LG MO1 Q1 UO1 VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
190 ug/kg/5D
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - changes in motor activity (specific assay) Gastrointestinal - nausea or vomiting
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
480 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
245 ug/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 :
1530 ug/kg
TOXIC EFFECTS :
Blood - leukopenia Blood - thrombocytopenia Skin and Appendages - hair
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1305 ug/kg/7W-I
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Nutritional and Gross Metabolic - weight loss or decreased weight gain Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 ug/kg/5D-I
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Blood - pigmented or nucleated red blood cells Blood - leukopenia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 ug/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 ug/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 ug/kg
SEX/DURATION :
female 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
250 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material)

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - mouse Ascites tumor
DOSE/DURATION :
100 ug/kg
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 60,649,1978

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