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Substance Name: Islanditoxin
RN: 10089-09-5
InChIKey: AIUAVRQIJPKJTG-UHFFFAOYSA-N

Molecular Formula

  • C24-H31-Cl2-N5-O7

Molecular Weight

  • 572.443
 
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Names and Synonyms

Results Name

  • Islanditoxin

Synonyms

  • 17,18-Dichloro-7-ethyldodecahydro-10,13-bis(hydroxymethyl)-3-phenylpyrrolo(2,1-c)(1,4,7,10,13)pentaazacyclohexadecine-1,5,8,11,14(2H)-pentone
  • Islanditoxin

Systematic Name

  • Pyrrolo(2,1-c)(1,4,7,10,13)pentaazacyclohexadecine-1,5,8,11,14(2H)-pentone, 17,18-dichloro-7-ethyldodecahydro-10,13-bis(hydroxymethyl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 10089-09-5

System Generated Number

  • 0010089095

Structure Descriptors

InChI

1S/C24H31Cl2N5O7/c1-2-14-21(35)29-16(10-32)22(36)30-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-15(8-18(34)27-14)12-6-4-3-5-7-12/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,35)(H,30,36)

InChIKey

AIUAVRQIJPKJTG-UHFFFAOYSA-N

Smiles

N1[C@@H](CC)C(=O)N[C@@H](CO)C(N[C@@H](C(N2C[C@@H]([C@@H]([C@@H]2C(N[C@@H](c2ccccc2)CC1=O)=O)Cl)Cl)=O)CO)=O