Acetic acid, (4-(bis(2-chloroethyl)amino)phenyl)-,cholesteryl ester

CAS 3546-10-9 MFCD00866286

化学结构图

3546-10-9
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C

化学属性

Mol. FormulaC39H59Cl2NO2
Mol. Weight644.89

别名和识别编码

Chemical NameAcetic acid, (4-(bis(2-chloroethyl)amino)phenyl)-,cholesteryl ester
Wiswesser Line NotationL E5 B666 LUTJ A1 E1 FY1&3Y1&1 OOV1R DN2G2G
Synonym Cholest-5-en-3-ol, (3-beta)-, 4-(bis(2-chloroethyl)amino)benzeneacetate Cholesterol, (p-(bis(2-chloroethyl)amino)phenyl) acetate Phenesterin NSC 104469 Fenestrin Phenestrin (p-(Bis(2-chloroethyl)amino)phenyl)acetic acid cholesterol ester Cholesteryl p-bis(2-chloroethyl)amino phenylacetate NCI-C01558 Phenesterine Fenesterin 5-Cholesten-3-beta-ol 3-(p-(bis(2-chloroethyl)amino)phenyl)acetate
CAS Number3546-10-9
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安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1092 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Blood - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-60,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2400 mg/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issu

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 780 mg/kg/52W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-60,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2340 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Blood - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-60,1978

RTECSAF5457000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 12,810,1969

系列性分类

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