Coralyne

CAS 6872-73-7 MFCD01732400

化学结构图

6872-73-7
SMILES: COc1cc2cc[n+]3c(C)c4c(OC)c(OC)ccc4cc3c2cc1OC.[Cl-]

化学属性

Mol. FormulaC22H22NO4.Cl
Mol. Weight399.90

别名和识别编码

Chemical NameCoralyne
InChIKeyPDYBUYVOPAJLKP-UHFFFAOYSA-M
Wiswesser Line NotationT D6 C666 LKJ FO1 GO1 M1 PO1 QO1 &G
Synonym 5,6,7,8,13,13a-Hexadehydro-8-methyl-2,3,10,11-tetramethoxyberbinium Coralyne
CAS Number6872-73-7
PubChem Substance ID23306
InChIInChI=1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1
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安全信息

RTECSDR9850000 
TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 25 mmol
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: 19,1261,1976

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Mammal - species unspecified Lymphocyte
DOSE/DURATION           : 8300 nmol/L
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: 19,1261,1976

系列性分类

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