苏拉明

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学

苏拉明 基本信息

中文名称:
苏拉明 
中文别名:
苏拉明;
8,8'-[羰基双[亚氨基-3,1-羰基亚氨基苯(4-甲基-3,1-苯)亚氨基羰基]]双萘-1,3,5-三磺酸 
英文名称:
1,3,5-Naphthalenetrisulfonicacid,8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-
英文别名:
suramin;
Fourneau;
Naphuride;
Naganol;
Antrypol;
Germanin;
Suramine;
Naganin;
Belganyl;
8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid;
Farma 
CAS No.:
145-63-1
分 子 式:
C51H40N6O23S6
分 子 量:
1297.33
精确分子量:
1296.05000
PSA:
534.03000
EINECS:
205-658-4
InChI:
The Key: FIAFUQMPZJWCLV-UHFFFAOYSA-N
安全术语:
Moderately toxic by intravenous route. Human systemic effects by intravenous route: eye effects. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of SOx and NOx.
分子结构式:
SDS:
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苏拉明 物化性质

折射率:
1.777
存储条件/存储方法:
通风低温干燥

苏拉明 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QM6900000
CHEMICAL NAME :
1,3,5-Naphthylenetrisulfonic acid, 8,8'-(ureylenebis(m-phenylenecarbonylimino(4-methyl- m-phenylene)carbonylimino))di-
CAS REGISTRY NUMBER :
145-63-1
BEILSTEIN REFERENCE NO. :
3230873
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C51-H40-N6-O23-S6
MOLECULAR WEIGHT :
1297.33
WISWESSER LINE NOTATION :
L66J BSWQ DSWQ GSWQ JMVR D1 CMVR CMVMR CVMR B1 EVM- JL66J BSWQ DSWQ GSWQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
46 mg/kg/5W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified
REFERENCE :
NEJMAG New England Journal of Medicine. (Massachusetts Medical Soc., 10 Shattuck St., Boston, MA 02115) V.198- 1928- Volume(issue)/page/year: 314,1455,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
620 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
REFERENCE :
AVPCAQ Advances in Pharmacology and Chemotherapy. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.7-20, 1969-84. Volume(issue)/page/year: 15,289,1978 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg/16W-I
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight Endocrine - changes in spleen weight
REFERENCE :
TOPADD Toxicologic Pathology. (c/o Dr. F.A. de la Iglesia, Warner-Lambert Co., Pharmaceutical Research Div., POB 1047, Ann Arbor, MI 48106) V.6(3/4)- 1978- Volume(issue)/page/year: 19,266,1991 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
300 mg/kg
SEX/DURATION :
female 7-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 167,1518,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
250 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 58,149,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
150 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 167,1518,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
195 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
REFERENCE :
CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 167,1518,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
195 mg/kg
SEX/DURATION :
female 9-11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
REFERENCE :
CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 167,1717,1973
毒理学数据:

静脉-小鼠 LD50: 620 毫克/公斤。

苏拉明 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1.5

2.氢键供体数量:12

3.氢键受体数量:23

4.可旋转化学键数量:16

5.互变异构体数量:155

6.拓扑分子极性表面积534

7.重原子数量:86

8.表面电荷:0

9.复杂度:3020

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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